USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 189 SER OG : rot -42:sc= 0.732 USER MOD Set 1.2: A 191 GLN :FLIP amide:sc= -0.159 F(o=-0.051,f=0.57) USER MOD Set 1.3: A 193 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.223 USER MOD Single : A 101 LYS NZ :NH3+ -120:sc= 1.11 (180deg=-1.02!) USER MOD Single : A 103 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0498) USER MOD Single : A 104 MET CE :methyl -170:sc= -3! (180deg=-3.26!) USER MOD Single : A 113 CYS SG : rot -115:sc= -3.38! USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 171:sc=-0.00458 (180deg=-0.095) USER MOD Single : A 171 TYR OH : rot 150:sc= 0 USER MOD Single : A 176 CYS SG : rot 93:sc= 1.12 USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 CYS SG : rot -65:sc= 0.0836 USER MOD Single : A 181 GLN : amide:sc= -0.668 X(o=-0.67,f=-0.23) USER MOD Single : A 182 ASN : amide:sc= -9.69! C(o=-9.7!,f=-14!) USER MOD Single : A 184 THR OG1 : rot -0:sc= 0.245 USER MOD Single : A 185 MET CE :methyl -126:sc= -0.576 (180deg=-1.24) USER MOD Single : A 186 CYS SG : rot 120:sc= -1.17 USER MOD Single : A 187 GLN : amide:sc= -1.2! C(o=-1.2!,f=-2!) USER MOD Single : A 194 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 LYS NZ :NH3+ -164:sc= -0.0234 (180deg=-0.272) USER MOD Single : A 198 LYS NZ :NH3+ -172:sc= 2.23 (180deg=2.14) USER MOD Single : A 209 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -7.692 6.959 4.716 1.00 1.90 N ATOM 389 CA ILE A 78 -6.957 5.714 4.874 1.00 1.74 C ATOM 390 C ILE A 78 -5.950 5.851 6.013 1.00 1.48 C ATOM 391 O ILE A 78 -5.128 6.764 6.006 1.00 1.42 O ATOM 392 CB ILE A 78 -6.223 5.328 3.568 1.00 1.86 C ATOM 393 CG1 ILE A 78 -7.228 5.181 2.421 1.00 2.18 C ATOM 394 CG2 ILE A 78 -5.432 4.037 3.756 1.00 1.84 C ATOM 395 CD1 ILE A 78 -6.591 4.856 1.087 1.00 2.45 C ATOM 0 HA ILE A 78 -7.670 4.924 5.108 1.00 1.74 H new ATOM 0 HB ILE A 78 -5.521 6.123 3.317 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -7.941 4.396 2.673 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -7.795 6.107 2.326 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -4.923 3.783 2.826 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -4.695 4.174 4.547 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -6.112 3.230 4.029 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -7.366 4.768 0.326 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -5.900 5.652 0.810 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -6.048 3.914 1.163 1.00 2.45 H new ATOM 407 N PRO A 79 -6.029 4.962 7.018 1.00 1.44 N ATOM 408 CA PRO A 79 -5.152 5.005 8.194 1.00 1.27 C ATOM 409 C PRO A 79 -3.670 5.010 7.832 1.00 1.11 C ATOM 410 O PRO A 79 -3.161 4.065 7.226 1.00 1.23 O ATOM 411 CB PRO A 79 -5.501 3.725 8.956 1.00 1.50 C ATOM 412 CG PRO A 79 -6.880 3.380 8.515 1.00 1.75 C ATOM 413 CD PRO A 79 -6.989 3.848 7.092 1.00 1.70 C ATOM 0 HA PRO A 79 -5.307 5.919 8.767 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.800 2.923 8.724 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -5.459 3.883 10.034 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -7.056 2.307 8.587 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -7.624 3.868 9.144 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -6.737 3.054 6.389 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -8.001 4.175 6.854 1.00 1.70 H new ATOM 421 N ILE A 80 -2.989 6.085 8.202 1.00 0.93 N ATOM 422 CA ILE A 80 -1.554 6.194 7.998 1.00 0.82 C ATOM 423 C ILE A 80 -0.880 6.582 9.308 1.00 0.72 C ATOM 424 O ILE A 80 -1.468 7.302 10.117 1.00 0.74 O ATOM 425 CB ILE A 80 -1.174 7.229 6.903 1.00 0.86 C ATOM 426 CG1 ILE A 80 -1.554 8.663 7.309 1.00 0.89 C ATOM 427 CG2 ILE A 80 -1.826 6.865 5.577 1.00 1.01 C ATOM 428 CD1 ILE A 80 -3.030 8.987 7.179 1.00 0.99 C ATOM 0 H ILE A 80 -3.412 6.899 8.648 1.00 0.93 H new ATOM 0 HA ILE A 80 -1.208 5.218 7.657 1.00 0.82 H new ATOM 0 HB ILE A 80 -0.091 7.197 6.788 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.249 8.826 8.343 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -0.987 9.363 6.695 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -1.549 7.600 4.821 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -1.487 5.878 5.264 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -2.910 6.856 5.695 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -3.205 10.018 7.487 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -3.340 8.860 6.142 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -3.607 8.316 7.815 1.00 0.99 H new ATOM 440 N PRO A 81 0.345 6.086 9.547 1.00 0.68 N ATOM 441 CA PRO A 81 1.122 6.429 10.742 1.00 0.67 C ATOM 442 C PRO A 81 1.258 7.937 10.925 1.00 0.64 C ATOM 443 O PRO A 81 1.331 8.690 9.952 1.00 0.61 O ATOM 444 CB PRO A 81 2.487 5.803 10.468 1.00 0.69 C ATOM 445 CG PRO A 81 2.203 4.676 9.543 1.00 0.71 C ATOM 446 CD PRO A 81 1.062 5.135 8.681 1.00 0.73 C ATOM 0 HA PRO A 81 0.648 6.069 11.655 1.00 0.67 H new ATOM 0 HB2 PRO A 81 3.170 6.523 10.018 1.00 0.69 H new ATOM 0 HB3 PRO A 81 2.954 5.453 11.388 1.00 0.69 H new ATOM 0 HG2 PRO A 81 3.078 4.435 8.939 1.00 0.71 H new ATOM 0 HG3 PRO A 81 1.939 3.774 10.095 1.00 0.71 H new ATOM 0 HD2 PRO A 81 1.415 5.611 7.766 1.00 0.73 H new ATOM 0 HD3 PRO A 81 0.424 4.303 8.382 1.00 0.73 H new ATOM 454 N ALA A 82 1.315 8.366 12.177 1.00 0.75 N ATOM 455 CA ALA A 82 1.295 9.782 12.517 1.00 0.80 C ATOM 456 C ALA A 82 2.587 10.497 12.125 1.00 0.71 C ATOM 457 O ALA A 82 2.715 11.701 12.338 1.00 0.78 O ATOM 458 CB ALA A 82 1.028 9.953 14.004 1.00 1.04 C ATOM 0 H ALA A 82 1.376 7.745 12.984 1.00 0.75 H new ATOM 0 HA ALA A 82 0.491 10.243 11.943 1.00 0.80 H new ATOM 0 HB1 ALA A 82 1.014 11.014 14.252 1.00 1.04 H new ATOM 0 HB2 ALA A 82 0.064 9.510 14.254 1.00 1.04 H new ATOM 0 HB3 ALA A 82 1.814 9.458 14.574 1.00 1.04 H new ATOM 464 N ASP A 83 3.536 9.770 11.553 1.00 0.67 N ATOM 465 CA ASP A 83 4.791 10.372 11.125 1.00 0.70 C ATOM 466 C ASP A 83 4.847 10.509 9.602 1.00 0.55 C ATOM 467 O ASP A 83 5.849 10.959 9.044 1.00 0.60 O ATOM 468 CB ASP A 83 5.991 9.575 11.653 1.00 0.88 C ATOM 469 CG ASP A 83 6.096 8.173 11.088 1.00 1.05 C ATOM 470 OD1 ASP A 83 7.165 7.836 10.540 1.00 1.39 O ATOM 471 OD2 ASP A 83 5.124 7.398 11.210 1.00 1.66 O ATOM 0 H ASP A 83 3.462 8.768 11.375 1.00 0.67 H new ATOM 0 HA ASP A 83 4.842 11.375 11.550 1.00 0.70 H new ATOM 0 HB2 ASP A 83 6.906 10.119 11.420 1.00 0.88 H new ATOM 0 HB3 ASP A 83 5.924 9.514 12.739 1.00 0.88 H new ATOM 476 N PHE A 84 3.748 10.163 8.940 1.00 0.45 N ATOM 477 CA PHE A 84 3.629 10.329 7.491 1.00 0.41 C ATOM 478 C PHE A 84 2.267 10.907 7.164 1.00 0.40 C ATOM 479 O PHE A 84 1.267 10.520 7.763 1.00 0.56 O ATOM 480 CB PHE A 84 3.806 9.004 6.730 1.00 0.42 C ATOM 481 CG PHE A 84 5.119 8.330 6.974 1.00 0.56 C ATOM 482 CD1 PHE A 84 5.180 7.157 7.699 1.00 0.66 C ATOM 483 CD2 PHE A 84 6.291 8.869 6.474 1.00 0.79 C ATOM 484 CE1 PHE A 84 6.384 6.527 7.922 1.00 0.87 C ATOM 485 CE2 PHE A 84 7.501 8.247 6.696 1.00 0.98 C ATOM 486 CZ PHE A 84 7.556 7.092 7.427 1.00 1.00 C ATOM 0 H PHE A 84 2.921 9.764 9.384 1.00 0.45 H new ATOM 0 HA PHE A 84 4.426 11.002 7.174 1.00 0.41 H new ATOM 0 HB2 PHE A 84 3.003 8.324 7.014 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.700 9.194 5.662 1.00 0.42 H new ATOM 0 HD1 PHE A 84 4.272 6.728 8.096 1.00 0.66 H new ATOM 0 HD2 PHE A 84 6.258 9.786 5.904 1.00 0.79 H new ATOM 0 HE1 PHE A 84 6.419 5.601 8.477 1.00 0.87 H new ATOM 0 HE2 PHE A 84 8.408 8.673 6.292 1.00 0.98 H new ATOM 0 HZ PHE A 84 8.508 6.619 7.620 1.00 1.00 H new ATOM 496 N GLU A 85 2.221 11.842 6.238 1.00 0.39 N ATOM 497 CA GLU A 85 0.958 12.443 5.870 1.00 0.44 C ATOM 498 C GLU A 85 0.530 12.017 4.477 1.00 0.39 C ATOM 499 O GLU A 85 1.263 12.199 3.510 1.00 0.40 O ATOM 500 CB GLU A 85 1.041 13.967 5.933 1.00 0.61 C ATOM 501 CG GLU A 85 -0.320 14.637 5.954 1.00 1.15 C ATOM 502 CD GLU A 85 -1.120 14.248 7.178 1.00 1.60 C ATOM 503 OE1 GLU A 85 -1.224 15.072 8.107 1.00 1.88 O ATOM 504 OE2 GLU A 85 -1.622 13.109 7.234 1.00 2.27 O ATOM 0 H GLU A 85 3.032 12.198 5.733 1.00 0.39 H new ATOM 0 HA GLU A 85 0.214 12.095 6.587 1.00 0.44 H new ATOM 0 HB2 GLU A 85 1.596 14.258 6.825 1.00 0.61 H new ATOM 0 HB3 GLU A 85 1.605 14.330 5.074 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -0.193 15.719 5.932 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -0.874 14.363 5.056 1.00 1.15 H new ATOM 511 N LEU A 86 -0.661 11.458 4.380 1.00 0.41 N ATOM 512 CA LEU A 86 -1.206 11.086 3.091 1.00 0.43 C ATOM 513 C LEU A 86 -1.950 12.252 2.487 1.00 0.44 C ATOM 514 O LEU A 86 -2.826 12.842 3.120 1.00 0.48 O ATOM 515 CB LEU A 86 -2.147 9.900 3.211 1.00 0.52 C ATOM 516 CG LEU A 86 -2.814 9.473 1.915 1.00 0.59 C ATOM 517 CD1 LEU A 86 -1.766 9.130 0.895 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.738 8.296 2.156 1.00 0.70 C ATOM 0 H LEU A 86 -1.266 11.253 5.175 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.373 10.805 2.447 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -1.590 9.053 3.611 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -2.922 10.143 3.938 1.00 0.52 H new ATOM 0 HG LEU A 86 -3.415 10.299 1.535 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -2.248 8.824 -0.033 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -1.140 10.003 0.708 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -1.148 8.314 1.269 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -4.207 8.004 1.217 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -3.164 7.458 2.551 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -4.508 8.579 2.874 1.00 0.70 H new ATOM 530 N ARG A 87 -1.610 12.568 1.259 1.00 0.47 N ATOM 531 CA ARG A 87 -2.224 13.675 0.565 1.00 0.55 C ATOM 532 C ARG A 87 -2.295 13.374 -0.923 1.00 0.61 C ATOM 533 O ARG A 87 -1.270 13.156 -1.568 1.00 0.66 O ATOM 534 CB ARG A 87 -1.430 14.965 0.797 1.00 0.62 C ATOM 535 CG ARG A 87 -1.470 15.480 2.229 1.00 0.69 C ATOM 536 CD ARG A 87 -0.899 16.886 2.344 1.00 1.04 C ATOM 537 NE ARG A 87 0.421 17.006 1.724 1.00 1.63 N ATOM 538 CZ ARG A 87 1.348 17.887 2.099 1.00 2.32 C ATOM 539 NH1 ARG A 87 1.109 18.729 3.098 1.00 2.62 N ATOM 540 NH2 ARG A 87 2.512 17.929 1.467 1.00 3.21 N ATOM 0 H ARG A 87 -0.905 12.069 0.716 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.232 13.813 0.955 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -0.391 14.794 0.514 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -1.817 15.739 0.135 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -2.499 15.476 2.587 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -0.906 14.805 2.873 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -1.583 17.592 1.874 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -0.829 17.162 3.396 1.00 1.04 H new ATOM 0 HE ARG A 87 0.646 16.375 0.955 1.00 1.63 H new ATOM 0 HH11 ARG A 87 0.212 18.704 3.583 1.00 2.62 H new ATOM 0 HH12 ARG A 87 1.823 19.401 3.380 1.00 2.62 H new ATOM 0 HH21 ARG A 87 2.697 17.288 0.695 1.00 3.21 H new ATOM 0 HH22 ARG A 87 3.223 18.602 1.752 1.00 3.21 H new ATOM 554 N GLU A 88 -3.503 13.330 -1.457 1.00 0.73 N ATOM 555 CA GLU A 88 -3.690 13.114 -2.880 1.00 0.84 C ATOM 556 C GLU A 88 -3.325 14.376 -3.650 1.00 0.87 C ATOM 557 O GLU A 88 -4.001 15.400 -3.546 1.00 0.98 O ATOM 558 CB GLU A 88 -5.136 12.721 -3.177 1.00 1.06 C ATOM 559 CG GLU A 88 -5.410 12.488 -4.655 1.00 1.61 C ATOM 560 CD GLU A 88 -6.884 12.348 -4.957 1.00 1.96 C ATOM 561 OE1 GLU A 88 -7.606 13.365 -4.912 1.00 2.46 O ATOM 562 OE2 GLU A 88 -7.327 11.215 -5.242 1.00 2.21 O ATOM 0 H GLU A 88 -4.368 13.441 -0.927 1.00 0.73 H new ATOM 0 HA GLU A 88 -3.037 12.301 -3.197 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.379 11.814 -2.623 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -5.800 13.505 -2.812 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -5.002 13.318 -5.232 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -4.889 11.587 -4.980 1.00 1.61 H new ATOM 569 N SER A 89 -2.255 14.286 -4.413 1.00 0.85 N ATOM 570 CA SER A 89 -1.773 15.391 -5.218 1.00 0.95 C ATOM 571 C SER A 89 -0.641 14.886 -6.093 1.00 0.90 C ATOM 572 O SER A 89 0.235 14.174 -5.614 1.00 1.11 O ATOM 573 CB SER A 89 -1.291 16.538 -4.320 1.00 1.03 C ATOM 574 OG SER A 89 -0.891 17.668 -5.079 1.00 1.58 O ATOM 0 H SER A 89 -1.692 13.439 -4.493 1.00 0.85 H new ATOM 0 HA SER A 89 -2.579 15.776 -5.843 1.00 0.95 H new ATOM 0 HB2 SER A 89 -2.090 16.824 -3.635 1.00 1.03 H new ATOM 0 HB3 SER A 89 -0.455 16.195 -3.710 1.00 1.03 H new ATOM 0 HG SER A 89 -0.592 18.379 -4.474 1.00 1.58 H new ATOM 580 N SER A 90 -0.669 15.226 -7.369 1.00 0.86 N ATOM 581 CA SER A 90 0.323 14.721 -8.298 1.00 0.88 C ATOM 582 C SER A 90 1.556 15.620 -8.316 1.00 0.87 C ATOM 583 O SER A 90 1.521 16.733 -8.845 1.00 1.02 O ATOM 584 CB SER A 90 -0.277 14.603 -9.703 1.00 1.13 C ATOM 585 OG SER A 90 0.643 14.011 -10.609 1.00 1.86 O ATOM 0 H SER A 90 -1.364 15.847 -7.783 1.00 0.86 H new ATOM 0 HA SER A 90 0.632 13.730 -7.966 1.00 0.88 H new ATOM 0 HB2 SER A 90 -1.187 14.005 -9.663 1.00 1.13 H new ATOM 0 HB3 SER A 90 -0.561 15.592 -10.064 1.00 1.13 H new ATOM 0 HG SER A 90 0.233 13.947 -11.497 1.00 1.86 H new ATOM 591 N ILE A 91 2.635 15.144 -7.709 1.00 0.86 N ATOM 592 CA ILE A 91 3.911 15.836 -7.781 1.00 1.01 C ATOM 593 C ILE A 91 4.651 15.408 -9.051 1.00 1.09 C ATOM 594 O ILE A 91 4.859 14.213 -9.284 1.00 1.08 O ATOM 595 CB ILE A 91 4.771 15.592 -6.504 1.00 1.10 C ATOM 596 CG1 ILE A 91 6.128 16.314 -6.587 1.00 1.35 C ATOM 597 CG2 ILE A 91 4.971 14.104 -6.243 1.00 1.07 C ATOM 598 CD1 ILE A 91 7.236 15.503 -7.236 1.00 1.45 C ATOM 0 H ILE A 91 2.650 14.283 -7.163 1.00 0.86 H new ATOM 0 HA ILE A 91 3.726 16.909 -7.827 1.00 1.01 H new ATOM 0 HB ILE A 91 4.219 16.012 -5.663 1.00 1.10 H new ATOM 0 HG12 ILE A 91 5.998 17.241 -7.146 1.00 1.35 H new ATOM 0 HG13 ILE A 91 6.440 16.591 -5.580 1.00 1.35 H new ATOM 0 HG21 ILE A 91 5.575 13.970 -5.345 1.00 1.07 H new ATOM 0 HG22 ILE A 91 4.002 13.626 -6.103 1.00 1.07 H new ATOM 0 HG23 ILE A 91 5.480 13.651 -7.094 1.00 1.07 H new ATOM 0 HD11 ILE A 91 8.155 16.089 -7.252 1.00 1.45 H new ATOM 0 HD12 ILE A 91 7.399 14.588 -6.666 1.00 1.45 H new ATOM 0 HD13 ILE A 91 6.951 15.248 -8.257 1.00 1.45 H new ATOM 610 N PRO A 92 5.009 16.385 -9.907 1.00 1.24 N ATOM 611 CA PRO A 92 5.680 16.134 -11.190 1.00 1.37 C ATOM 612 C PRO A 92 6.829 15.138 -11.086 1.00 1.47 C ATOM 613 O PRO A 92 7.804 15.367 -10.370 1.00 1.61 O ATOM 614 CB PRO A 92 6.205 17.513 -11.580 1.00 1.58 C ATOM 615 CG PRO A 92 5.229 18.462 -10.981 1.00 1.59 C ATOM 616 CD PRO A 92 4.770 17.829 -9.694 1.00 1.37 C ATOM 0 HA PRO A 92 5.001 15.688 -11.917 1.00 1.37 H new ATOM 0 HB2 PRO A 92 7.210 17.680 -11.193 1.00 1.58 H new ATOM 0 HB3 PRO A 92 6.257 17.627 -12.663 1.00 1.58 H new ATOM 0 HG2 PRO A 92 5.691 19.432 -10.796 1.00 1.59 H new ATOM 0 HG3 PRO A 92 4.388 18.633 -11.653 1.00 1.59 H new ATOM 0 HD2 PRO A 92 5.332 18.206 -8.840 1.00 1.37 H new ATOM 0 HD3 PRO A 92 3.718 18.036 -9.499 1.00 1.37 H new ATOM 624 N GLY A 93 6.705 14.037 -11.811 1.00 1.47 N ATOM 625 CA GLY A 93 7.727 13.016 -11.798 1.00 1.62 C ATOM 626 C GLY A 93 7.288 11.770 -11.062 1.00 1.58 C ATOM 627 O GLY A 93 7.727 10.666 -11.383 1.00 1.74 O ATOM 0 H GLY A 93 5.907 13.833 -12.413 1.00 1.47 H new ATOM 0 HA2 GLY A 93 7.989 12.755 -12.823 1.00 1.62 H new ATOM 0 HA3 GLY A 93 8.628 13.413 -11.330 1.00 1.62 H new ATOM 631 N ALA A 94 6.408 11.939 -10.083 1.00 1.40 N ATOM 632 CA ALA A 94 5.928 10.807 -9.306 1.00 1.40 C ATOM 633 C ALA A 94 4.407 10.708 -9.336 1.00 1.27 C ATOM 634 O ALA A 94 3.842 9.768 -9.899 1.00 1.38 O ATOM 635 CB ALA A 94 6.426 10.904 -7.872 1.00 1.41 C ATOM 0 H ALA A 94 6.016 12.841 -9.811 1.00 1.40 H new ATOM 0 HA ALA A 94 6.325 9.899 -9.760 1.00 1.40 H new ATOM 0 HB1 ALA A 94 6.060 10.051 -7.301 1.00 1.41 H new ATOM 0 HB2 ALA A 94 7.516 10.905 -7.865 1.00 1.41 H new ATOM 0 HB3 ALA A 94 6.060 11.826 -7.421 1.00 1.41 H new ATOM 641 N GLY A 95 3.744 11.689 -8.752 1.00 1.09 N ATOM 642 CA GLY A 95 2.306 11.653 -8.637 1.00 1.02 C ATOM 643 C GLY A 95 1.872 11.776 -7.196 1.00 0.91 C ATOM 644 O GLY A 95 2.360 12.643 -6.481 1.00 1.02 O ATOM 0 H GLY A 95 4.182 12.518 -8.351 1.00 1.09 H new ATOM 0 HA2 GLY A 95 1.871 12.464 -9.221 1.00 1.02 H new ATOM 0 HA3 GLY A 95 1.928 10.720 -9.055 1.00 1.02 H new ATOM 648 N LEU A 96 0.964 10.915 -6.767 1.00 0.79 N ATOM 649 CA LEU A 96 0.543 10.887 -5.370 1.00 0.70 C ATOM 650 C LEU A 96 1.639 10.292 -4.486 1.00 0.65 C ATOM 651 O LEU A 96 2.540 9.621 -4.987 1.00 0.99 O ATOM 652 CB LEU A 96 -0.780 10.114 -5.213 1.00 0.77 C ATOM 653 CG LEU A 96 -0.919 8.818 -6.026 1.00 1.35 C ATOM 654 CD1 LEU A 96 0.020 7.738 -5.515 1.00 2.05 C ATOM 655 CD2 LEU A 96 -2.357 8.327 -5.987 1.00 2.31 C ATOM 0 H LEU A 96 0.503 10.226 -7.362 1.00 0.79 H new ATOM 0 HA LEU A 96 0.371 11.913 -5.044 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -0.909 9.870 -4.158 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -1.598 10.779 -5.489 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.644 9.038 -7.058 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -0.105 6.835 -6.113 1.00 2.05 H new ATOM 0 HD12 LEU A 96 1.050 8.085 -5.592 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -0.211 7.518 -4.473 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -2.444 7.408 -6.567 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -2.648 8.134 -4.954 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -3.013 9.087 -6.412 1.00 2.31 H new ATOM 667 N GLY A 97 1.582 10.576 -3.189 1.00 0.59 N ATOM 668 CA GLY A 97 2.547 10.013 -2.260 1.00 0.57 C ATOM 669 C GLY A 97 2.237 10.388 -0.824 1.00 0.52 C ATOM 670 O GLY A 97 1.305 11.154 -0.569 1.00 0.55 O ATOM 0 H GLY A 97 0.884 11.186 -2.763 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.554 8.927 -2.358 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.546 10.363 -2.519 1.00 0.57 H new ATOM 674 N VAL A 98 2.995 9.837 0.122 1.00 0.48 N ATOM 675 CA VAL A 98 2.853 10.233 1.514 1.00 0.46 C ATOM 676 C VAL A 98 4.042 11.091 1.928 1.00 0.47 C ATOM 677 O VAL A 98 5.196 10.744 1.682 1.00 0.67 O ATOM 678 CB VAL A 98 2.696 9.034 2.491 1.00 0.47 C ATOM 679 CG1 VAL A 98 1.521 8.164 2.083 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.966 8.202 2.595 1.00 0.53 C ATOM 0 H VAL A 98 3.704 9.124 -0.050 1.00 0.48 H new ATOM 0 HA VAL A 98 1.928 10.805 1.582 1.00 0.46 H new ATOM 0 HB VAL A 98 2.503 9.450 3.480 1.00 0.47 H new ATOM 0 HG11 VAL A 98 1.427 7.330 2.779 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.606 8.756 2.101 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.685 7.780 1.076 1.00 0.49 H new ATOM 0 HG21 VAL A 98 3.805 7.377 3.289 1.00 0.53 H new ATOM 0 HG22 VAL A 98 4.222 7.805 1.613 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.782 8.827 2.958 1.00 0.53 H new ATOM 690 N TRP A 99 3.746 12.217 2.540 1.00 0.38 N ATOM 691 CA TRP A 99 4.764 13.184 2.900 1.00 0.39 C ATOM 692 C TRP A 99 5.173 12.993 4.351 1.00 0.35 C ATOM 693 O TRP A 99 4.358 13.168 5.259 1.00 0.38 O ATOM 694 CB TRP A 99 4.227 14.603 2.687 1.00 0.44 C ATOM 695 CG TRP A 99 3.635 14.815 1.324 1.00 0.50 C ATOM 696 CD1 TRP A 99 2.357 14.534 0.930 1.00 0.66 C ATOM 697 CD2 TRP A 99 4.297 15.353 0.174 1.00 0.62 C ATOM 698 NE1 TRP A 99 2.184 14.870 -0.389 1.00 0.69 N ATOM 699 CE2 TRP A 99 3.361 15.372 -0.877 1.00 0.66 C ATOM 700 CE3 TRP A 99 5.589 15.822 -0.068 1.00 0.88 C ATOM 701 CZ2 TRP A 99 3.679 15.840 -2.150 1.00 0.82 C ATOM 702 CZ3 TRP A 99 5.905 16.285 -1.330 1.00 1.13 C ATOM 703 CH2 TRP A 99 4.954 16.292 -2.357 1.00 1.06 C ATOM 0 H TRP A 99 2.798 12.489 2.802 1.00 0.38 H new ATOM 0 HA TRP A 99 5.639 13.035 2.267 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.469 14.814 3.442 1.00 0.44 H new ATOM 0 HB3 TRP A 99 5.036 15.317 2.839 1.00 0.44 H new ATOM 0 HD1 TRP A 99 1.594 14.109 1.565 1.00 0.66 H new ATOM 0 HE1 TRP A 99 1.319 14.763 -0.920 1.00 0.69 H new ATOM 0 HE3 TRP A 99 6.329 15.823 0.718 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 2.947 15.846 -2.944 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 6.903 16.648 -1.528 1.00 1.13 H new ATOM 0 HH2 TRP A 99 5.232 16.662 -3.333 1.00 1.06 H new ATOM 714 N ALA A 100 6.420 12.605 4.570 1.00 0.39 N ATOM 715 CA ALA A 100 6.926 12.432 5.921 1.00 0.42 C ATOM 716 C ALA A 100 6.939 13.766 6.653 1.00 0.43 C ATOM 717 O ALA A 100 7.674 14.676 6.282 1.00 0.49 O ATOM 718 CB ALA A 100 8.325 11.827 5.891 1.00 0.54 C ATOM 0 H ALA A 100 7.096 12.405 3.833 1.00 0.39 H new ATOM 0 HA ALA A 100 6.266 11.749 6.456 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.690 11.704 6.911 1.00 0.54 H new ATOM 0 HB2 ALA A 100 8.291 10.856 5.398 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.996 12.489 5.343 1.00 0.54 H new ATOM 724 N LYS A 101 6.114 13.873 7.687 1.00 0.47 N ATOM 725 CA LYS A 101 6.041 15.083 8.491 1.00 0.57 C ATOM 726 C LYS A 101 7.131 15.088 9.555 1.00 0.56 C ATOM 727 O LYS A 101 7.348 16.086 10.242 1.00 0.63 O ATOM 728 CB LYS A 101 4.678 15.175 9.159 1.00 0.69 C ATOM 729 CG LYS A 101 4.314 13.942 9.955 1.00 1.17 C ATOM 730 CD LYS A 101 2.918 14.079 10.491 1.00 0.84 C ATOM 731 CE LYS A 101 1.876 13.792 9.439 1.00 0.88 C ATOM 732 NZ LYS A 101 0.499 14.035 9.950 1.00 1.68 N ATOM 0 H LYS A 101 5.483 13.131 7.989 1.00 0.47 H new ATOM 0 HA LYS A 101 6.187 15.942 7.836 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.663 16.042 9.819 1.00 0.69 H new ATOM 0 HB3 LYS A 101 3.918 15.343 8.396 1.00 0.69 H new ATOM 0 HG2 LYS A 101 4.386 13.056 9.324 1.00 1.17 H new ATOM 0 HG3 LYS A 101 5.018 13.807 10.776 1.00 1.17 H new ATOM 0 HD2 LYS A 101 2.783 13.396 11.330 1.00 0.84 H new ATOM 0 HD3 LYS A 101 2.775 15.089 10.876 1.00 0.84 H new ATOM 0 HE2 LYS A 101 2.057 14.420 8.566 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.965 12.756 9.111 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 -0.051 13.154 9.898 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 0.547 14.356 10.938 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 0.038 14.765 9.371 1.00 1.68 H new ATOM 746 N ARG A 102 7.803 13.961 9.686 1.00 0.54 N ATOM 747 CA ARG A 102 8.835 13.798 10.686 1.00 0.58 C ATOM 748 C ARG A 102 10.127 13.344 10.023 1.00 0.54 C ATOM 749 O ARG A 102 10.109 12.763 8.938 1.00 0.54 O ATOM 750 CB ARG A 102 8.391 12.775 11.735 1.00 0.72 C ATOM 751 CG ARG A 102 9.388 12.599 12.865 1.00 0.83 C ATOM 752 CD ARG A 102 9.046 11.416 13.747 1.00 1.16 C ATOM 753 NE ARG A 102 9.008 10.163 12.992 1.00 1.80 N ATOM 754 CZ ARG A 102 9.181 8.958 13.534 1.00 2.52 C ATOM 755 NH1 ARG A 102 9.433 8.838 14.832 1.00 2.75 N ATOM 756 NH2 ARG A 102 9.095 7.873 12.777 1.00 3.50 N ATOM 0 H ARG A 102 7.649 13.137 9.104 1.00 0.54 H new ATOM 0 HA ARG A 102 9.008 14.754 11.181 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.432 13.085 12.151 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.231 11.813 11.248 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.387 12.464 12.449 1.00 0.83 H new ATOM 0 HG3 ARG A 102 9.414 13.506 13.469 1.00 0.83 H new ATOM 0 HD2 ARG A 102 9.782 11.335 14.547 1.00 1.16 H new ATOM 0 HD3 ARG A 102 8.078 11.584 14.220 1.00 1.16 H new ATOM 0 HE ARG A 102 8.838 10.215 11.988 1.00 1.80 H new ATOM 0 HH11 ARG A 102 9.495 9.670 15.419 1.00 2.75 H new ATOM 0 HH12 ARG A 102 9.565 7.914 15.243 1.00 2.75 H new ATOM 0 HH21 ARG A 102 8.897 7.961 11.780 1.00 3.50 H new ATOM 0 HH22 ARG A 102 9.227 6.950 13.191 1.00 3.50 H new ATOM 770 N LYS A 103 11.243 13.624 10.677 1.00 0.59 N ATOM 771 CA LYS A 103 12.547 13.237 10.171 1.00 0.63 C ATOM 772 C LYS A 103 12.826 11.778 10.524 1.00 0.68 C ATOM 773 O LYS A 103 12.250 11.243 11.472 1.00 0.82 O ATOM 774 CB LYS A 103 13.642 14.149 10.755 1.00 0.73 C ATOM 775 CG LYS A 103 14.168 13.722 12.125 1.00 0.98 C ATOM 776 CD LYS A 103 13.059 13.627 13.163 1.00 1.17 C ATOM 777 CE LYS A 103 13.552 13.004 14.461 1.00 2.05 C ATOM 778 NZ LYS A 103 14.650 13.790 15.083 1.00 2.40 N ATOM 0 H LYS A 103 11.269 14.122 11.567 1.00 0.59 H new ATOM 0 HA LYS A 103 12.552 13.346 9.087 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.477 14.184 10.056 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.248 15.162 10.832 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.664 12.756 12.037 1.00 0.98 H new ATOM 0 HG3 LYS A 103 14.919 14.436 12.463 1.00 0.98 H new ATOM 0 HD2 LYS A 103 12.664 14.623 13.365 1.00 1.17 H new ATOM 0 HD3 LYS A 103 12.237 13.033 12.764 1.00 1.17 H new ATOM 0 HE2 LYS A 103 12.721 12.926 15.163 1.00 2.05 H new ATOM 0 HE3 LYS A 103 13.900 11.990 14.265 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 14.906 13.365 15.997 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 15.479 13.786 14.455 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 14.334 14.769 15.233 1.00 2.40 H new ATOM 792 N MET A 104 13.681 11.136 9.754 1.00 0.73 N ATOM 793 CA MET A 104 14.079 9.768 10.041 1.00 0.83 C ATOM 794 C MET A 104 15.577 9.604 9.872 1.00 0.87 C ATOM 795 O MET A 104 16.206 10.359 9.135 1.00 0.93 O ATOM 796 CB MET A 104 13.322 8.782 9.150 1.00 0.85 C ATOM 797 CG MET A 104 11.890 8.538 9.595 1.00 0.97 C ATOM 798 SD MET A 104 10.993 7.434 8.487 1.00 1.22 S ATOM 799 CE MET A 104 11.013 8.402 6.981 1.00 0.92 C ATOM 0 H MET A 104 14.115 11.538 8.923 1.00 0.73 H new ATOM 0 HA MET A 104 13.824 9.549 11.078 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.317 9.159 8.127 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.857 7.832 9.137 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.894 8.114 10.599 1.00 0.97 H new ATOM 0 HG3 MET A 104 11.365 9.491 9.654 1.00 0.97 H new ATOM 0 HE1 MET A 104 10.349 7.946 6.246 1.00 0.92 H new ATOM 0 HE2 MET A 104 10.675 9.416 7.196 1.00 0.92 H new ATOM 0 HE3 MET A 104 12.027 8.435 6.583 1.00 0.92 H new ATOM 809 N GLU A 105 16.142 8.647 10.587 1.00 0.90 N ATOM 810 CA GLU A 105 17.561 8.339 10.489 1.00 0.93 C ATOM 811 C GLU A 105 17.744 6.915 9.976 1.00 0.89 C ATOM 812 O GLU A 105 17.022 6.002 10.391 1.00 1.13 O ATOM 813 CB GLU A 105 18.238 8.519 11.848 1.00 1.08 C ATOM 814 CG GLU A 105 17.577 7.736 12.969 1.00 1.64 C ATOM 815 CD GLU A 105 18.291 7.902 14.290 1.00 1.94 C ATOM 816 OE1 GLU A 105 17.952 8.843 15.040 1.00 2.25 O ATOM 817 OE2 GLU A 105 19.192 7.089 14.587 1.00 2.31 O ATOM 0 H GLU A 105 15.633 8.062 11.250 1.00 0.90 H new ATOM 0 HA GLU A 105 18.030 9.026 9.785 1.00 0.93 H new ATOM 0 HB2 GLU A 105 19.281 8.211 11.768 1.00 1.08 H new ATOM 0 HB3 GLU A 105 18.237 9.578 12.107 1.00 1.08 H new ATOM 0 HG2 GLU A 105 16.543 8.063 13.075 1.00 1.64 H new ATOM 0 HG3 GLU A 105 17.552 6.679 12.704 1.00 1.64 H new ATOM 824 N ALA A 106 18.742 6.751 9.107 1.00 0.78 N ATOM 825 CA ALA A 106 18.955 5.525 8.329 1.00 0.78 C ATOM 826 C ALA A 106 18.763 4.246 9.139 1.00 0.76 C ATOM 827 O ALA A 106 19.323 4.091 10.229 1.00 0.78 O ATOM 828 CB ALA A 106 20.350 5.545 7.730 1.00 0.84 C ATOM 0 H ALA A 106 19.436 7.475 8.919 1.00 0.78 H new ATOM 0 HA ALA A 106 18.195 5.513 7.547 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.511 4.635 7.152 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.454 6.412 7.078 1.00 0.84 H new ATOM 0 HB3 ALA A 106 21.089 5.602 8.530 1.00 0.84 H new ATOM 834 N GLY A 107 17.989 3.324 8.578 1.00 0.83 N ATOM 835 CA GLY A 107 17.742 2.052 9.228 1.00 0.91 C ATOM 836 C GLY A 107 16.275 1.842 9.546 1.00 0.87 C ATOM 837 O GLY A 107 15.910 0.876 10.220 1.00 1.04 O ATOM 0 H GLY A 107 17.525 3.437 7.677 1.00 0.83 H new ATOM 0 HA2 GLY A 107 18.091 1.244 8.585 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.322 1.999 10.149 1.00 0.91 H new ATOM 841 N GLU A 108 15.434 2.740 9.060 1.00 0.71 N ATOM 842 CA GLU A 108 14.000 2.665 9.301 1.00 0.74 C ATOM 843 C GLU A 108 13.308 1.767 8.277 1.00 0.61 C ATOM 844 O GLU A 108 13.895 1.382 7.261 1.00 0.61 O ATOM 845 CB GLU A 108 13.365 4.062 9.289 1.00 0.87 C ATOM 846 CG GLU A 108 13.592 4.855 8.010 1.00 0.85 C ATOM 847 CD GLU A 108 14.983 5.440 7.904 1.00 1.78 C ATOM 848 OE1 GLU A 108 15.888 4.744 7.395 1.00 2.62 O ATOM 849 OE2 GLU A 108 15.170 6.589 8.336 1.00 2.13 O ATOM 0 H GLU A 108 15.722 3.536 8.491 1.00 0.71 H new ATOM 0 HA GLU A 108 13.862 2.227 10.289 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.292 3.959 9.451 1.00 0.87 H new ATOM 0 HB3 GLU A 108 13.761 4.633 10.129 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.412 4.206 7.153 1.00 0.85 H new ATOM 0 HG3 GLU A 108 12.862 5.662 7.957 1.00 0.85 H new ATOM 856 N ARG A 109 12.056 1.436 8.555 1.00 0.63 N ATOM 857 CA ARG A 109 11.292 0.542 7.706 1.00 0.56 C ATOM 858 C ARG A 109 9.843 0.988 7.646 1.00 0.46 C ATOM 859 O ARG A 109 9.257 1.329 8.671 1.00 0.55 O ATOM 860 CB ARG A 109 11.340 -0.872 8.271 1.00 0.73 C ATOM 861 CG ARG A 109 10.976 -1.952 7.266 1.00 0.80 C ATOM 862 CD ARG A 109 12.118 -2.202 6.297 1.00 1.22 C ATOM 863 NE ARG A 109 13.381 -2.440 6.999 1.00 2.02 N ATOM 864 CZ ARG A 109 14.344 -3.254 6.572 1.00 2.71 C ATOM 865 NH1 ARG A 109 14.193 -3.943 5.449 1.00 2.91 N ATOM 866 NH2 ARG A 109 15.458 -3.388 7.279 1.00 3.62 N ATOM 0 H ARG A 109 11.546 1.778 9.370 1.00 0.63 H new ATOM 0 HA ARG A 109 11.725 0.561 6.706 1.00 0.56 H new ATOM 0 HB2 ARG A 109 12.343 -1.067 8.651 1.00 0.73 H new ATOM 0 HB3 ARG A 109 10.660 -0.936 9.120 1.00 0.73 H new ATOM 0 HG2 ARG A 109 10.732 -2.875 7.792 1.00 0.80 H new ATOM 0 HG3 ARG A 109 10.085 -1.654 6.714 1.00 0.80 H new ATOM 0 HD2 ARG A 109 11.882 -3.062 5.670 1.00 1.22 H new ATOM 0 HD3 ARG A 109 12.227 -1.344 5.633 1.00 1.22 H new ATOM 0 HE ARG A 109 13.534 -1.947 7.878 1.00 2.02 H new ATOM 0 HH11 ARG A 109 13.334 -3.851 4.906 1.00 2.91 H new ATOM 0 HH12 ARG A 109 14.935 -4.565 5.128 1.00 2.91 H new ATOM 0 HH21 ARG A 109 15.576 -2.868 8.148 1.00 3.62 H new ATOM 0 HH22 ARG A 109 16.197 -4.011 6.953 1.00 3.62 H new ATOM 880 N LEU A 110 9.266 0.999 6.457 1.00 0.38 N ATOM 881 CA LEU A 110 7.837 1.241 6.331 1.00 0.39 C ATOM 882 C LEU A 110 7.147 -0.078 6.033 1.00 0.49 C ATOM 883 O LEU A 110 7.606 -0.837 5.173 1.00 0.53 O ATOM 884 CB LEU A 110 7.503 2.248 5.221 1.00 0.35 C ATOM 885 CG LEU A 110 8.303 3.556 5.197 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.496 4.643 4.499 1.00 0.39 C ATOM 887 CD2 LEU A 110 8.693 4.006 6.596 1.00 0.41 C ATOM 0 H LEU A 110 9.756 0.846 5.575 1.00 0.38 H new ATOM 0 HA LEU A 110 7.487 1.669 7.270 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.640 1.750 4.261 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.446 2.500 5.301 1.00 0.35 H new ATOM 0 HG LEU A 110 9.224 3.374 4.644 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.070 5.570 4.485 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.279 4.335 3.476 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.561 4.803 5.036 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.258 4.936 6.535 1.00 0.41 H new ATOM 0 HD22 LEU A 110 7.794 4.166 7.191 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.307 3.239 7.067 1.00 0.41 H new ATOM 899 N GLY A 111 6.069 -0.366 6.738 1.00 0.61 N ATOM 900 CA GLY A 111 5.368 -1.610 6.518 1.00 0.77 C ATOM 901 C GLY A 111 4.047 -1.672 7.247 1.00 0.88 C ATOM 902 O GLY A 111 3.778 -0.847 8.119 1.00 1.02 O ATOM 0 H GLY A 111 5.667 0.236 7.456 1.00 0.61 H new ATOM 0 HA2 GLY A 111 5.195 -1.741 5.450 1.00 0.77 H new ATOM 0 HA3 GLY A 111 5.997 -2.439 6.843 1.00 0.77 H new ATOM 906 N PRO A 112 3.194 -2.645 6.901 1.00 1.23 N ATOM 907 CA PRO A 112 3.457 -3.602 5.828 1.00 1.24 C ATOM 908 C PRO A 112 3.094 -3.035 4.457 1.00 1.05 C ATOM 909 O PRO A 112 2.103 -2.319 4.316 1.00 1.19 O ATOM 910 CB PRO A 112 2.547 -4.794 6.174 1.00 1.78 C ATOM 911 CG PRO A 112 1.804 -4.409 7.421 1.00 2.10 C ATOM 912 CD PRO A 112 1.909 -2.915 7.539 1.00 1.83 C ATOM 0 HA PRO A 112 4.513 -3.865 5.764 1.00 1.24 H new ATOM 0 HB2 PRO A 112 1.855 -5.005 5.358 1.00 1.78 H new ATOM 0 HB3 PRO A 112 3.135 -5.698 6.335 1.00 1.78 H new ATOM 0 HG2 PRO A 112 0.761 -4.721 7.363 1.00 2.10 H new ATOM 0 HG3 PRO A 112 2.234 -4.898 8.295 1.00 2.10 H new ATOM 0 HD2 PRO A 112 1.088 -2.408 7.032 1.00 1.83 H new ATOM 0 HD3 PRO A 112 1.893 -2.587 8.578 1.00 1.83 H new ATOM 920 N CYS A 113 3.901 -3.350 3.450 1.00 1.00 N ATOM 921 CA CYS A 113 3.653 -2.868 2.097 1.00 1.00 C ATOM 922 C CYS A 113 2.741 -3.826 1.341 1.00 1.17 C ATOM 923 O CYS A 113 2.368 -3.576 0.196 1.00 1.67 O ATOM 924 CB CYS A 113 4.970 -2.703 1.338 1.00 1.05 C ATOM 925 SG CYS A 113 6.183 -1.665 2.182 1.00 2.00 S ATOM 0 H CYS A 113 4.731 -3.936 3.545 1.00 1.00 H new ATOM 0 HA CYS A 113 3.160 -1.899 2.170 1.00 1.00 H new ATOM 0 HB2 CYS A 113 5.405 -3.688 1.169 1.00 1.05 H new ATOM 0 HB3 CYS A 113 4.761 -2.275 0.358 1.00 1.05 H new ATOM 0 HG CYS A 113 6.405 -0.596 1.476 1.00 2.00 H new ATOM 1692 N GLY A 166 -0.334 -1.826 3.034 1.00 1.30 N ATOM 1693 CA GLY A 166 -0.073 -1.809 1.609 1.00 1.24 C ATOM 1694 C GLY A 166 -0.784 -0.676 0.898 1.00 1.03 C ATOM 1695 O GLY A 166 -0.197 0.002 0.055 1.00 1.05 O ATOM 0 HA2 GLY A 166 1.000 -1.721 1.441 1.00 1.24 H new ATOM 0 HA3 GLY A 166 -0.386 -2.758 1.175 1.00 1.24 H new ATOM 1699 N SER A 167 -2.040 -0.460 1.259 1.00 0.98 N ATOM 1700 CA SER A 167 -2.876 0.540 0.613 1.00 0.99 C ATOM 1701 C SER A 167 -2.284 1.944 0.731 1.00 0.78 C ATOM 1702 O SER A 167 -2.337 2.720 -0.219 1.00 0.86 O ATOM 1703 CB SER A 167 -4.276 0.504 1.226 1.00 1.17 C ATOM 1704 OG SER A 167 -4.803 -0.813 1.202 1.00 1.82 O ATOM 0 H SER A 167 -2.508 -0.972 2.007 1.00 0.98 H new ATOM 0 HA SER A 167 -2.929 0.301 -0.449 1.00 0.99 H new ATOM 0 HB2 SER A 167 -4.237 0.866 2.253 1.00 1.17 H new ATOM 0 HB3 SER A 167 -4.936 1.175 0.676 1.00 1.17 H new ATOM 0 HG SER A 167 -5.698 -0.814 1.600 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.714 2.272 1.884 1.00 0.62 N ATOM 1711 CA TRP A 168 -1.147 3.604 2.076 1.00 0.51 C ATOM 1712 C TRP A 168 0.290 3.672 1.558 1.00 0.42 C ATOM 1713 O TRP A 168 0.792 4.745 1.226 1.00 0.43 O ATOM 1714 CB TRP A 168 -1.206 4.026 3.551 1.00 0.56 C ATOM 1715 CG TRP A 168 -0.237 3.315 4.452 1.00 0.55 C ATOM 1716 CD1 TRP A 168 -0.364 2.060 4.967 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.001 3.832 4.960 1.00 0.49 C ATOM 1718 NE1 TRP A 168 0.719 1.758 5.754 1.00 0.70 N ATOM 1719 CE2 TRP A 168 1.573 2.829 5.767 1.00 0.56 C ATOM 1720 CE3 TRP A 168 1.684 5.041 4.806 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 2.790 3.001 6.419 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 2.894 5.212 5.454 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.438 4.196 6.250 1.00 0.50 C ATOM 0 H TRP A 168 -1.632 1.649 2.687 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.752 4.303 1.498 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -1.019 5.098 3.615 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -2.217 3.856 3.922 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -1.197 1.398 4.782 1.00 0.69 H new ATOM 0 HE1 TRP A 168 0.865 0.878 6.249 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.274 5.829 4.191 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.209 2.220 7.036 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.428 6.144 5.344 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.387 4.358 6.740 1.00 0.50 H new ATOM 1734 N LEU A 169 0.943 2.523 1.471 1.00 0.41 N ATOM 1735 CA LEU A 169 2.347 2.478 1.086 1.00 0.38 C ATOM 1736 C LEU A 169 2.533 2.425 -0.426 1.00 0.39 C ATOM 1737 O LEU A 169 3.628 2.671 -0.926 1.00 0.41 O ATOM 1738 CB LEU A 169 3.056 1.307 1.761 1.00 0.44 C ATOM 1739 CG LEU A 169 3.465 1.563 3.215 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.048 0.312 3.840 1.00 0.66 C ATOM 1741 CD2 LEU A 169 4.466 2.708 3.295 1.00 0.55 C ATOM 0 H LEU A 169 0.526 1.612 1.661 1.00 0.41 H new ATOM 0 HA LEU A 169 2.802 3.407 1.430 1.00 0.38 H new ATOM 0 HB2 LEU A 169 2.402 0.436 1.729 1.00 0.44 H new ATOM 0 HB3 LEU A 169 3.947 1.058 1.185 1.00 0.44 H new ATOM 0 HG LEU A 169 2.571 1.841 3.773 1.00 0.46 H new ATOM 0 HD11 LEU A 169 4.331 0.519 4.872 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.305 -0.485 3.820 1.00 0.66 H new ATOM 0 HD13 LEU A 169 4.929 0.001 3.278 1.00 0.66 H new ATOM 0 HD21 LEU A 169 4.745 2.875 4.335 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.355 2.455 2.717 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.015 3.614 2.890 1.00 0.55 H new ATOM 1753 N LYS A 170 1.468 2.120 -1.161 1.00 0.44 N ATOM 1754 CA LYS A 170 1.545 2.119 -2.618 1.00 0.52 C ATOM 1755 C LYS A 170 1.554 3.547 -3.154 1.00 0.50 C ATOM 1756 O LYS A 170 1.682 3.771 -4.358 1.00 0.61 O ATOM 1757 CB LYS A 170 0.392 1.303 -3.238 1.00 0.66 C ATOM 1758 CG LYS A 170 -1.020 1.807 -2.921 1.00 0.74 C ATOM 1759 CD LYS A 170 -1.439 3.008 -3.773 1.00 0.83 C ATOM 1760 CE LYS A 170 -1.457 2.681 -5.263 1.00 1.15 C ATOM 1761 NZ LYS A 170 -2.406 1.587 -5.594 1.00 1.48 N ATOM 0 H LYS A 170 0.555 1.874 -0.779 1.00 0.44 H new ATOM 0 HA LYS A 170 2.480 1.639 -2.907 1.00 0.52 H new ATOM 0 HB2 LYS A 170 0.520 1.291 -4.320 1.00 0.66 H new ATOM 0 HB3 LYS A 170 0.476 0.271 -2.896 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -1.731 0.995 -3.075 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -1.072 2.082 -1.867 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -2.430 3.342 -3.464 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -0.753 3.836 -3.593 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -1.728 3.575 -5.825 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -0.454 2.396 -5.581 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -2.495 1.505 -6.627 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -2.051 0.690 -5.205 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.337 1.799 -5.182 1.00 1.48 H new ATOM 1775 N TYR A 171 1.408 4.511 -2.251 1.00 0.45 N ATOM 1776 CA TYR A 171 1.381 5.912 -2.632 1.00 0.52 C ATOM 1777 C TYR A 171 2.778 6.435 -2.945 1.00 0.53 C ATOM 1778 O TYR A 171 2.948 7.222 -3.865 1.00 0.68 O ATOM 1779 CB TYR A 171 0.737 6.760 -1.534 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.775 6.716 -1.539 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.519 7.644 -2.253 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.456 5.735 -0.830 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.902 7.597 -2.260 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.836 5.681 -0.832 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.555 6.656 -1.548 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.929 6.559 -1.552 1.00 1.97 O ATOM 0 H TYR A 171 1.307 4.344 -1.250 1.00 0.45 H new ATOM 0 HA TYR A 171 0.780 5.991 -3.538 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.098 6.418 -0.564 1.00 0.56 H new ATOM 0 HB3 TYR A 171 1.062 7.794 -1.648 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -1.011 8.415 -2.812 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.897 5.002 -0.268 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.461 8.317 -2.838 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.355 4.903 -0.293 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.191 5.625 -1.415 1.00 1.97 H new ATOM 1796 N ILE A 172 3.779 5.992 -2.194 1.00 0.43 N ATOM 1797 CA ILE A 172 5.143 6.450 -2.432 1.00 0.46 C ATOM 1798 C ILE A 172 5.642 5.930 -3.774 1.00 0.56 C ATOM 1799 O ILE A 172 5.531 4.739 -4.072 1.00 0.67 O ATOM 1800 CB ILE A 172 6.117 6.043 -1.305 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.387 5.238 -0.217 1.00 0.42 C ATOM 1802 CG2 ILE A 172 6.795 7.282 -0.727 1.00 0.57 C ATOM 1803 CD1 ILE A 172 6.064 5.249 1.138 1.00 0.54 C ATOM 0 H ILE A 172 3.676 5.327 -1.427 1.00 0.43 H new ATOM 0 HA ILE A 172 5.116 7.540 -2.446 1.00 0.46 H new ATOM 0 HB ILE A 172 6.890 5.398 -1.722 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.377 5.634 -0.107 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.290 4.205 -0.551 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.480 6.985 0.067 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.351 7.793 -1.513 1.00 0.57 H new ATOM 0 HG23 ILE A 172 6.039 7.955 -0.321 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.479 4.656 1.842 1.00 0.54 H new ATOM 0 HD12 ILE A 172 7.064 4.824 1.049 1.00 0.54 H new ATOM 0 HD13 ILE A 172 6.137 6.275 1.500 1.00 0.54 H new ATOM 1815 N ARG A 173 6.168 6.835 -4.587 1.00 0.71 N ATOM 1816 CA ARG A 173 6.541 6.505 -5.951 1.00 0.92 C ATOM 1817 C ARG A 173 7.992 6.869 -6.246 1.00 0.69 C ATOM 1818 O ARG A 173 8.791 7.084 -5.333 1.00 0.61 O ATOM 1819 CB ARG A 173 5.617 7.225 -6.936 1.00 1.38 C ATOM 1820 CG ARG A 173 4.181 6.731 -6.911 1.00 1.82 C ATOM 1821 CD ARG A 173 3.340 7.463 -7.941 1.00 2.22 C ATOM 1822 NE ARG A 173 1.998 6.900 -8.057 1.00 2.79 N ATOM 1823 CZ ARG A 173 1.079 7.330 -8.920 1.00 3.52 C ATOM 1824 NH1 ARG A 173 1.357 8.328 -9.753 1.00 3.84 N ATOM 1825 NH2 ARG A 173 -0.115 6.753 -8.952 1.00 4.34 N ATOM 0 H ARG A 173 6.345 7.804 -4.323 1.00 0.71 H new ATOM 0 HA ARG A 173 6.436 5.426 -6.069 1.00 0.92 H new ATOM 0 HB2 ARG A 173 5.627 8.292 -6.714 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.014 7.105 -7.944 1.00 1.38 H new ATOM 0 HG2 ARG A 173 4.157 5.660 -7.110 1.00 1.82 H new ATOM 0 HG3 ARG A 173 3.758 6.880 -5.918 1.00 1.82 H new ATOM 0 HD2 ARG A 173 3.268 8.516 -7.667 1.00 2.22 H new ATOM 0 HD3 ARG A 173 3.836 7.419 -8.911 1.00 2.22 H new ATOM 0 HE ARG A 173 1.748 6.129 -7.438 1.00 2.79 H new ATOM 0 HH11 ARG A 173 2.277 8.768 -9.733 1.00 3.84 H new ATOM 0 HH12 ARG A 173 0.650 8.654 -10.412 1.00 3.84 H new ATOM 0 HH21 ARG A 173 -0.327 5.983 -8.317 1.00 4.34 H new ATOM 0 HH22 ARG A 173 -0.822 7.079 -9.611 1.00 4.34 H new ATOM 1839 N VAL A 174 8.312 6.925 -7.535 1.00 0.70 N ATOM 1840 CA VAL A 174 9.661 7.200 -8.009 1.00 0.63 C ATOM 1841 C VAL A 174 10.131 8.591 -7.582 1.00 0.55 C ATOM 1842 O VAL A 174 9.332 9.522 -7.474 1.00 0.62 O ATOM 1843 CB VAL A 174 9.719 7.092 -9.550 1.00 0.73 C ATOM 1844 CG1 VAL A 174 11.150 7.160 -10.051 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.051 5.810 -10.023 1.00 1.07 C ATOM 0 H VAL A 174 7.636 6.779 -8.285 1.00 0.70 H new ATOM 0 HA VAL A 174 10.323 6.459 -7.562 1.00 0.63 H new ATOM 0 HB VAL A 174 9.176 7.941 -9.965 1.00 0.73 H new ATOM 0 HG11 VAL A 174 11.159 7.081 -11.138 1.00 0.98 H new ATOM 0 HG12 VAL A 174 11.595 8.109 -9.752 1.00 0.98 H new ATOM 0 HG13 VAL A 174 11.725 6.339 -9.623 1.00 0.98 H new ATOM 0 HG21 VAL A 174 9.102 5.753 -11.110 1.00 1.07 H new ATOM 0 HG22 VAL A 174 9.564 4.951 -9.590 1.00 1.07 H new ATOM 0 HG23 VAL A 174 8.007 5.806 -9.708 1.00 1.07 H new ATOM 1855 N ALA A 175 11.431 8.712 -7.328 1.00 0.53 N ATOM 1856 CA ALA A 175 12.023 9.982 -6.930 1.00 0.57 C ATOM 1857 C ALA A 175 11.932 11.009 -8.047 1.00 0.52 C ATOM 1858 O ALA A 175 12.198 10.710 -9.212 1.00 0.57 O ATOM 1859 CB ALA A 175 13.475 9.780 -6.531 1.00 0.71 C ATOM 0 H ALA A 175 12.096 7.941 -7.392 1.00 0.53 H new ATOM 0 HA ALA A 175 11.462 10.360 -6.075 1.00 0.57 H new ATOM 0 HB1 ALA A 175 13.907 10.736 -6.235 1.00 0.71 H new ATOM 0 HB2 ALA A 175 13.529 9.083 -5.695 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.032 9.376 -7.376 1.00 0.71 H new ATOM 1865 N CYS A 176 11.559 12.226 -7.671 1.00 0.62 N ATOM 1866 CA CYS A 176 11.439 13.334 -8.610 1.00 0.69 C ATOM 1867 C CYS A 176 12.810 13.764 -9.134 1.00 0.68 C ATOM 1868 O CYS A 176 12.917 14.421 -10.169 1.00 0.84 O ATOM 1869 CB CYS A 176 10.741 14.513 -7.924 1.00 0.85 C ATOM 1870 SG CYS A 176 10.425 15.934 -8.997 1.00 1.88 S ATOM 0 H CYS A 176 11.331 12.472 -6.708 1.00 0.62 H new ATOM 0 HA CYS A 176 10.844 13.004 -9.462 1.00 0.69 H new ATOM 0 HB2 CYS A 176 9.792 14.167 -7.514 1.00 0.85 H new ATOM 0 HB3 CYS A 176 11.352 14.839 -7.082 1.00 0.85 H new ATOM 0 HG CYS A 176 9.237 15.831 -9.515 1.00 1.88 H new ATOM 1876 N SER A 177 13.857 13.391 -8.411 1.00 0.63 N ATOM 1877 CA SER A 177 15.219 13.727 -8.798 1.00 0.71 C ATOM 1878 C SER A 177 16.170 12.601 -8.396 1.00 0.65 C ATOM 1879 O SER A 177 15.950 11.923 -7.390 1.00 0.66 O ATOM 1880 CB SER A 177 15.628 15.046 -8.138 1.00 0.88 C ATOM 1881 OG SER A 177 14.784 16.107 -8.561 1.00 1.63 O ATOM 0 H SER A 177 13.787 12.852 -7.548 1.00 0.63 H new ATOM 0 HA SER A 177 15.271 13.847 -9.880 1.00 0.71 H new ATOM 0 HB2 SER A 177 15.577 14.946 -7.054 1.00 0.88 H new ATOM 0 HB3 SER A 177 16.663 15.277 -8.389 1.00 0.88 H new ATOM 0 HG SER A 177 15.062 16.940 -8.126 1.00 1.63 H new ATOM 1887 N CYS A 178 17.222 12.400 -9.188 1.00 0.71 N ATOM 1888 CA CYS A 178 18.168 11.312 -8.947 1.00 0.76 C ATOM 1889 C CYS A 178 19.117 11.643 -7.802 1.00 0.71 C ATOM 1890 O CYS A 178 19.818 10.771 -7.291 1.00 0.77 O ATOM 1891 CB CYS A 178 18.953 10.989 -10.221 1.00 1.00 C ATOM 1892 SG CYS A 178 19.735 12.421 -11.001 1.00 1.96 S ATOM 0 H CYS A 178 17.441 12.976 -10.001 1.00 0.71 H new ATOM 0 HA CYS A 178 17.595 10.431 -8.659 1.00 0.76 H new ATOM 0 HB2 CYS A 178 19.723 10.255 -9.982 1.00 1.00 H new ATOM 0 HB3 CYS A 178 18.279 10.522 -10.940 1.00 1.00 H new ATOM 0 HG CYS A 178 18.818 13.239 -11.425 1.00 1.96 H new ATOM 1898 N ASP A 179 19.146 12.905 -7.403 1.00 0.76 N ATOM 1899 CA ASP A 179 19.893 13.308 -6.217 1.00 0.88 C ATOM 1900 C ASP A 179 19.166 12.850 -4.960 1.00 0.82 C ATOM 1901 O ASP A 179 19.772 12.617 -3.917 1.00 0.99 O ATOM 1902 CB ASP A 179 20.086 14.825 -6.193 1.00 1.08 C ATOM 1903 CG ASP A 179 20.690 15.317 -4.890 1.00 1.81 C ATOM 1904 OD1 ASP A 179 19.966 15.946 -4.092 1.00 2.40 O ATOM 1905 OD2 ASP A 179 21.892 15.062 -4.652 1.00 2.42 O ATOM 0 H ASP A 179 18.664 13.667 -7.880 1.00 0.76 H new ATOM 0 HA ASP A 179 20.875 12.836 -6.249 1.00 0.88 H new ATOM 0 HB2 ASP A 179 20.731 15.118 -7.021 1.00 1.08 H new ATOM 0 HB3 ASP A 179 19.124 15.312 -6.350 1.00 1.08 H new ATOM 1910 N ASP A 180 17.858 12.684 -5.088 1.00 0.70 N ATOM 1911 CA ASP A 180 17.011 12.316 -3.964 1.00 0.75 C ATOM 1912 C ASP A 180 16.836 10.811 -3.865 1.00 0.60 C ATOM 1913 O ASP A 180 15.898 10.337 -3.225 1.00 0.64 O ATOM 1914 CB ASP A 180 15.642 12.989 -4.074 1.00 0.92 C ATOM 1915 CG ASP A 180 15.713 14.482 -3.853 1.00 1.41 C ATOM 1916 OD1 ASP A 180 15.703 15.237 -4.848 1.00 2.12 O ATOM 1917 OD2 ASP A 180 15.784 14.909 -2.682 1.00 1.55 O ATOM 0 H ASP A 180 17.356 12.800 -5.969 1.00 0.70 H new ATOM 0 HA ASP A 180 17.509 12.663 -3.058 1.00 0.75 H new ATOM 0 HB2 ASP A 180 15.221 12.790 -5.060 1.00 0.92 H new ATOM 0 HB3 ASP A 180 14.964 12.548 -3.343 1.00 0.92 H new ATOM 1922 N GLN A 181 17.709 10.055 -4.531 1.00 0.51 N ATOM 1923 CA GLN A 181 17.646 8.602 -4.455 1.00 0.46 C ATOM 1924 C GLN A 181 17.713 8.152 -3.004 1.00 0.46 C ATOM 1925 O GLN A 181 18.719 8.342 -2.320 1.00 0.56 O ATOM 1926 CB GLN A 181 18.776 7.950 -5.253 1.00 0.56 C ATOM 1927 CG GLN A 181 18.589 8.024 -6.761 1.00 0.62 C ATOM 1928 CD GLN A 181 17.345 7.299 -7.232 1.00 0.70 C ATOM 1929 OE1 GLN A 181 17.371 6.098 -7.500 1.00 1.35 O ATOM 1930 NE2 GLN A 181 16.248 8.026 -7.351 1.00 0.98 N ATOM 0 H GLN A 181 18.457 10.421 -5.120 1.00 0.51 H new ATOM 0 HA GLN A 181 16.698 8.286 -4.891 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.718 8.431 -4.990 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.859 6.904 -4.958 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.533 9.069 -7.065 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.462 7.596 -7.253 1.00 0.62 H new ATOM 0 HE21 GLN A 181 16.267 9.019 -7.119 1.00 0.98 H new ATOM 0 HE22 GLN A 181 15.383 7.594 -7.675 1.00 0.98 H new ATOM 1939 N ASN A 182 16.623 7.566 -2.552 1.00 0.40 N ATOM 1940 CA ASN A 182 16.495 7.096 -1.190 1.00 0.41 C ATOM 1941 C ASN A 182 15.345 6.094 -1.140 1.00 0.36 C ATOM 1942 O ASN A 182 14.618 5.971 -0.160 1.00 0.42 O ATOM 1943 CB ASN A 182 16.272 8.296 -0.253 1.00 0.49 C ATOM 1944 CG ASN A 182 16.072 7.903 1.189 1.00 0.99 C ATOM 1945 OD1 ASN A 182 17.011 7.570 1.901 1.00 1.68 O ATOM 1946 ND2 ASN A 182 14.840 7.988 1.635 1.00 0.93 N ATOM 0 H ASN A 182 15.795 7.402 -3.125 1.00 0.40 H new ATOM 0 HA ASN A 182 17.402 6.594 -0.854 1.00 0.41 H new ATOM 0 HB2 ASN A 182 17.129 8.966 -0.323 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.401 8.856 -0.593 1.00 0.49 H new ATOM 0 HD21 ASN A 182 14.635 7.772 2.611 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.088 8.270 1.006 1.00 0.93 H new ATOM 1953 N LEU A 183 15.207 5.350 -2.220 1.00 0.34 N ATOM 1954 CA LEU A 183 14.067 4.471 -2.388 1.00 0.35 C ATOM 1955 C LEU A 183 14.532 3.046 -2.651 1.00 0.36 C ATOM 1956 O LEU A 183 15.239 2.786 -3.627 1.00 0.39 O ATOM 1957 CB LEU A 183 13.190 4.962 -3.547 1.00 0.39 C ATOM 1958 CG LEU A 183 13.292 6.452 -3.864 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.415 6.719 -4.845 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.978 6.984 -4.410 1.00 0.81 C ATOM 0 H LEU A 183 15.871 5.337 -2.994 1.00 0.34 H new ATOM 0 HA LEU A 183 13.479 4.482 -1.470 1.00 0.35 H new ATOM 0 HB2 LEU A 183 13.453 4.399 -4.442 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.151 4.728 -3.317 1.00 0.39 H new ATOM 0 HG LEU A 183 13.514 6.975 -2.934 1.00 0.46 H new ATOM 0 HD11 LEU A 183 14.468 7.787 -5.055 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.360 6.386 -4.416 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.226 6.176 -5.771 1.00 0.73 H new ATOM 0 HD21 LEU A 183 12.078 8.047 -4.627 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.721 6.449 -5.324 1.00 0.81 H new ATOM 0 HD23 LEU A 183 11.191 6.838 -3.670 1.00 0.81 H new ATOM 1972 N THR A 184 14.160 2.134 -1.767 1.00 0.37 N ATOM 1973 CA THR A 184 14.512 0.733 -1.925 1.00 0.41 C ATOM 1974 C THR A 184 13.460 -0.177 -1.287 1.00 0.41 C ATOM 1975 O THR A 184 13.068 0.015 -0.135 1.00 0.45 O ATOM 1976 CB THR A 184 15.896 0.444 -1.310 1.00 0.45 C ATOM 1977 OG1 THR A 184 16.903 1.177 -2.022 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.224 -1.038 -1.343 1.00 0.49 C ATOM 0 H THR A 184 13.613 2.340 -0.931 1.00 0.37 H new ATOM 0 HA THR A 184 14.549 0.523 -2.994 1.00 0.41 H new ATOM 0 HB THR A 184 15.873 0.760 -0.267 1.00 0.45 H new ATOM 0 HG1 THR A 184 16.484 1.694 -2.742 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.207 -1.203 -0.901 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.474 -1.589 -0.776 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.227 -1.387 -2.376 1.00 0.49 H new ATOM 1986 N MET A 185 12.995 -1.157 -2.049 1.00 0.49 N ATOM 1987 CA MET A 185 12.054 -2.145 -1.537 1.00 0.51 C ATOM 1988 C MET A 185 12.808 -3.344 -0.973 1.00 0.60 C ATOM 1989 O MET A 185 13.786 -3.803 -1.557 1.00 0.90 O ATOM 1990 CB MET A 185 11.094 -2.597 -2.641 1.00 0.77 C ATOM 1991 CG MET A 185 10.198 -3.759 -2.236 1.00 1.01 C ATOM 1992 SD MET A 185 9.130 -4.329 -3.575 1.00 1.35 S ATOM 1993 CE MET A 185 7.970 -2.967 -3.709 1.00 1.03 C ATOM 0 H MET A 185 13.254 -1.290 -3.026 1.00 0.49 H new ATOM 0 HA MET A 185 11.471 -1.686 -0.739 1.00 0.51 H new ATOM 0 HB2 MET A 185 10.469 -1.753 -2.935 1.00 0.77 H new ATOM 0 HB3 MET A 185 11.673 -2.885 -3.518 1.00 0.77 H new ATOM 0 HG2 MET A 185 10.819 -4.588 -1.897 1.00 1.01 H new ATOM 0 HG3 MET A 185 9.580 -3.456 -1.390 1.00 1.01 H new ATOM 0 HE1 MET A 185 6.952 -3.347 -3.630 1.00 1.03 H new ATOM 0 HE2 MET A 185 8.154 -2.252 -2.907 1.00 1.03 H new ATOM 0 HE3 MET A 185 8.099 -2.473 -4.672 1.00 1.03 H new ATOM 2003 N CYS A 186 12.361 -3.827 0.173 1.00 0.55 N ATOM 2004 CA CYS A 186 12.969 -4.983 0.805 1.00 0.81 C ATOM 2005 C CYS A 186 11.982 -6.150 0.854 1.00 0.71 C ATOM 2006 O CYS A 186 10.824 -5.982 1.244 1.00 0.65 O ATOM 2007 CB CYS A 186 13.426 -4.615 2.217 1.00 1.10 C ATOM 2008 SG CYS A 186 14.260 -5.946 3.107 1.00 1.73 S ATOM 0 H CYS A 186 11.573 -3.433 0.687 1.00 0.55 H new ATOM 0 HA CYS A 186 13.834 -5.293 0.218 1.00 0.81 H new ATOM 0 HB2 CYS A 186 14.098 -3.759 2.156 1.00 1.10 H new ATOM 0 HB3 CYS A 186 12.558 -4.297 2.795 1.00 1.10 H new ATOM 0 HG CYS A 186 15.466 -5.572 3.416 1.00 1.73 H new ATOM 2014 N GLN A 187 12.445 -7.323 0.447 1.00 0.81 N ATOM 2015 CA GLN A 187 11.622 -8.524 0.469 1.00 0.79 C ATOM 2016 C GLN A 187 12.121 -9.457 1.570 1.00 0.87 C ATOM 2017 O GLN A 187 13.166 -10.096 1.435 1.00 1.01 O ATOM 2018 CB GLN A 187 11.674 -9.208 -0.904 1.00 0.95 C ATOM 2019 CG GLN A 187 10.556 -10.211 -1.167 1.00 1.08 C ATOM 2020 CD GLN A 187 10.803 -11.576 -0.552 1.00 1.47 C ATOM 2021 OE1 GLN A 187 11.945 -12.004 -0.386 1.00 1.93 O ATOM 2022 NE2 GLN A 187 9.730 -12.273 -0.222 1.00 1.60 N ATOM 0 H GLN A 187 13.391 -7.469 0.096 1.00 0.81 H new ATOM 0 HA GLN A 187 10.585 -8.264 0.680 1.00 0.79 H new ATOM 0 HB2 GLN A 187 11.642 -8.440 -1.677 1.00 0.95 H new ATOM 0 HB3 GLN A 187 12.631 -9.720 -1.002 1.00 0.95 H new ATOM 0 HG2 GLN A 187 9.621 -9.810 -0.776 1.00 1.08 H new ATOM 0 HG3 GLN A 187 10.428 -10.325 -2.243 1.00 1.08 H new ATOM 0 HE21 GLN A 187 8.801 -11.882 -0.376 1.00 1.60 H new ATOM 0 HE22 GLN A 187 9.831 -13.202 0.187 1.00 1.60 H new ATOM 2031 N ILE A 188 11.375 -9.516 2.664 1.00 0.82 N ATOM 2032 CA ILE A 188 11.773 -10.291 3.836 1.00 0.92 C ATOM 2033 C ILE A 188 10.553 -10.917 4.495 1.00 0.95 C ATOM 2034 O ILE A 188 9.477 -10.323 4.494 1.00 0.87 O ATOM 2035 CB ILE A 188 12.524 -9.431 4.881 1.00 0.99 C ATOM 2036 CG1 ILE A 188 11.782 -8.116 5.127 1.00 0.96 C ATOM 2037 CG2 ILE A 188 13.949 -9.157 4.430 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.365 -7.285 6.249 1.00 1.11 C ATOM 0 H ILE A 188 10.483 -9.033 2.767 1.00 0.82 H new ATOM 0 HA ILE A 188 12.451 -11.068 3.484 1.00 0.92 H new ATOM 0 HB ILE A 188 12.561 -9.989 5.816 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.791 -7.528 4.209 1.00 0.96 H new ATOM 0 HG13 ILE A 188 10.739 -8.336 5.355 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.458 -8.551 5.180 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.479 -10.101 4.306 1.00 1.07 H new ATOM 0 HG23 ILE A 188 13.934 -8.622 3.481 1.00 1.07 H new ATOM 0 HD11 ILE A 188 11.785 -6.369 6.362 1.00 1.11 H new ATOM 0 HD12 ILE A 188 12.331 -7.853 7.178 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.399 -7.033 6.016 1.00 1.11 H new ATOM 2050 N SER A 189 10.722 -12.129 5.023 1.00 1.12 N ATOM 2051 CA SER A 189 9.632 -12.856 5.670 1.00 1.23 C ATOM 2052 C SER A 189 8.503 -13.119 4.674 1.00 1.13 C ATOM 2053 O SER A 189 7.334 -13.234 5.049 1.00 1.15 O ATOM 2054 CB SER A 189 9.116 -12.074 6.890 1.00 1.31 C ATOM 2055 OG SER A 189 8.126 -12.804 7.596 1.00 1.86 O ATOM 0 H SER A 189 11.610 -12.630 5.014 1.00 1.12 H new ATOM 0 HA SER A 189 10.010 -13.817 6.017 1.00 1.23 H new ATOM 0 HB2 SER A 189 9.948 -11.849 7.557 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.702 -11.120 6.563 1.00 1.31 H new ATOM 0 HG SER A 189 7.520 -13.235 6.958 1.00 1.86 H new ATOM 2061 N GLU A 190 8.880 -13.208 3.399 1.00 1.11 N ATOM 2062 CA GLU A 190 7.942 -13.429 2.303 1.00 1.13 C ATOM 2063 C GLU A 190 6.873 -12.341 2.249 1.00 0.96 C ATOM 2064 O GLU A 190 5.730 -12.587 1.871 1.00 1.05 O ATOM 2065 CB GLU A 190 7.312 -14.820 2.398 1.00 1.34 C ATOM 2066 CG GLU A 190 8.322 -15.941 2.208 1.00 1.74 C ATOM 2067 CD GLU A 190 9.038 -15.854 0.874 1.00 2.26 C ATOM 2068 OE1 GLU A 190 8.714 -16.649 -0.035 1.00 2.66 O ATOM 2069 OE2 GLU A 190 9.927 -14.988 0.719 1.00 2.83 O ATOM 0 H GLU A 190 9.851 -13.128 3.097 1.00 1.11 H new ATOM 0 HA GLU A 190 8.505 -13.375 1.371 1.00 1.13 H new ATOM 0 HB2 GLU A 190 6.833 -14.931 3.371 1.00 1.34 H new ATOM 0 HB3 GLU A 190 6.529 -14.911 1.645 1.00 1.34 H new ATOM 0 HG2 GLU A 190 9.055 -15.906 3.014 1.00 1.74 H new ATOM 0 HG3 GLU A 190 7.813 -16.902 2.282 1.00 1.74 H new ATOM 2076 N GLN A 191 7.260 -11.135 2.631 1.00 0.81 N ATOM 2077 CA GLN A 191 6.392 -9.978 2.519 1.00 0.71 C ATOM 2078 C GLN A 191 7.220 -8.746 2.180 1.00 0.61 C ATOM 2079 O GLN A 191 8.449 -8.766 2.275 1.00 0.65 O ATOM 2080 CB GLN A 191 5.595 -9.765 3.809 1.00 0.78 C ATOM 2081 CG GLN A 191 6.450 -9.684 5.058 1.00 0.87 C ATOM 2082 CD GLN A 191 5.626 -9.601 6.327 1.00 1.15 C ATOM 2083 OE1 GLN A 191 4.448 -8.999 6.240 1.00 1.75 O flip ATOM 2084 NE2 GLN A 191 6.044 -10.077 7.380 1.00 1.46 N flip ATOM 0 H GLN A 191 8.179 -10.933 3.025 1.00 0.81 H new ATOM 0 HA GLN A 191 5.676 -10.152 1.716 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.016 -8.846 3.718 1.00 0.78 H new ATOM 0 HB3 GLN A 191 4.882 -10.582 3.922 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.098 -10.559 5.107 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.099 -8.810 4.993 1.00 0.87 H new ATOM 0 HE21 GLN A 191 6.956 -10.533 7.407 1.00 1.46 H new ATOM 0 HE22 GLN A 191 5.479 -10.016 8.227 1.00 1.46 H new ATOM 2093 N ILE A 192 6.549 -7.687 1.768 1.00 0.56 N ATOM 2094 CA ILE A 192 7.227 -6.502 1.278 1.00 0.50 C ATOM 2095 C ILE A 192 7.294 -5.412 2.341 1.00 0.47 C ATOM 2096 O ILE A 192 6.302 -5.116 3.012 1.00 0.61 O ATOM 2097 CB ILE A 192 6.526 -5.947 0.019 1.00 0.65 C ATOM 2098 CG1 ILE A 192 6.450 -7.023 -1.069 1.00 0.89 C ATOM 2099 CG2 ILE A 192 7.243 -4.711 -0.504 1.00 0.64 C ATOM 2100 CD1 ILE A 192 7.801 -7.513 -1.546 1.00 1.01 C ATOM 0 H ILE A 192 5.531 -7.623 1.763 1.00 0.56 H new ATOM 0 HA ILE A 192 8.244 -6.801 1.023 1.00 0.50 H new ATOM 0 HB ILE A 192 5.512 -5.658 0.295 1.00 0.65 H new ATOM 0 HG12 ILE A 192 5.881 -7.871 -0.688 1.00 0.89 H new ATOM 0 HG13 ILE A 192 5.898 -6.626 -1.921 1.00 0.89 H new ATOM 0 HG21 ILE A 192 6.729 -4.340 -1.391 1.00 0.64 H new ATOM 0 HG22 ILE A 192 7.244 -3.938 0.265 1.00 0.64 H new ATOM 0 HG23 ILE A 192 8.271 -4.968 -0.761 1.00 0.64 H new ATOM 0 HD11 ILE A 192 7.662 -8.273 -2.315 1.00 1.01 H new ATOM 0 HD12 ILE A 192 8.366 -6.677 -1.959 1.00 1.01 H new ATOM 0 HD13 ILE A 192 8.349 -7.942 -0.707 1.00 1.01 H new ATOM 2112 N TYR A 193 8.480 -4.842 2.491 1.00 0.48 N ATOM 2113 CA TYR A 193 8.698 -3.684 3.343 1.00 0.68 C ATOM 2114 C TYR A 193 9.506 -2.646 2.578 1.00 0.50 C ATOM 2115 O TYR A 193 10.215 -2.983 1.629 1.00 0.47 O ATOM 2116 CB TYR A 193 9.464 -4.073 4.611 1.00 1.05 C ATOM 2117 CG TYR A 193 8.667 -4.877 5.612 1.00 1.54 C ATOM 2118 CD1 TYR A 193 8.751 -6.260 5.651 1.00 2.35 C ATOM 2119 CD2 TYR A 193 7.845 -4.244 6.533 1.00 1.86 C ATOM 2120 CE1 TYR A 193 8.036 -6.992 6.577 1.00 3.17 C ATOM 2121 CE2 TYR A 193 7.123 -4.968 7.464 1.00 2.49 C ATOM 2122 CZ TYR A 193 7.223 -6.342 7.481 1.00 3.09 C ATOM 2123 OH TYR A 193 6.513 -7.070 8.409 1.00 3.94 O ATOM 0 H TYR A 193 9.323 -5.172 2.022 1.00 0.48 H new ATOM 0 HA TYR A 193 7.728 -3.279 3.630 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.345 -4.647 4.324 1.00 1.05 H new ATOM 0 HB3 TYR A 193 9.820 -3.164 5.097 1.00 1.05 H new ATOM 0 HD1 TYR A 193 9.387 -6.773 4.945 1.00 2.35 H new ATOM 0 HD2 TYR A 193 7.768 -3.167 6.523 1.00 1.86 H new ATOM 0 HE1 TYR A 193 8.113 -8.069 6.593 1.00 3.17 H new ATOM 0 HE2 TYR A 193 6.485 -4.460 8.173 1.00 2.49 H new ATOM 0 HH TYR A 193 5.990 -6.461 8.972 1.00 3.94 H new ATOM 2133 N TYR A 194 9.410 -1.389 2.975 1.00 0.49 N ATOM 2134 CA TYR A 194 10.253 -0.367 2.387 1.00 0.41 C ATOM 2135 C TYR A 194 11.411 -0.067 3.309 1.00 0.40 C ATOM 2136 O TYR A 194 11.218 0.349 4.453 1.00 0.49 O ATOM 2137 CB TYR A 194 9.478 0.920 2.098 1.00 0.56 C ATOM 2138 CG TYR A 194 8.564 0.840 0.892 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.299 1.420 0.911 1.00 0.80 C ATOM 2140 CD2 TYR A 194 8.957 0.169 -0.258 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.459 1.332 -0.181 1.00 0.89 C ATOM 2142 CE2 TYR A 194 8.122 0.080 -1.354 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.898 0.723 -1.332 1.00 0.80 C ATOM 2144 OH TYR A 194 6.040 0.575 -2.398 1.00 0.92 O ATOM 0 H TYR A 194 8.766 -1.056 3.692 1.00 0.49 H new ATOM 0 HA TYR A 194 10.622 -0.752 1.436 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.882 1.176 2.974 1.00 0.56 H new ATOM 0 HB3 TYR A 194 10.189 1.732 1.947 1.00 0.56 H new ATOM 0 HD1 TYR A 194 6.969 1.947 1.794 1.00 0.80 H new ATOM 0 HD2 TYR A 194 9.933 -0.292 -0.296 1.00 0.78 H new ATOM 0 HE1 TYR A 194 5.460 1.740 -0.131 1.00 0.89 H new ATOM 0 HE2 TYR A 194 8.423 -0.488 -2.222 1.00 0.85 H new ATOM 0 HH TYR A 194 6.507 0.126 -3.134 1.00 0.92 H new ATOM 2154 N LYS A 195 12.610 -0.293 2.811 1.00 0.37 N ATOM 2155 CA LYS A 195 13.808 -0.011 3.568 1.00 0.38 C ATOM 2156 C LYS A 195 14.345 1.331 3.131 1.00 0.39 C ATOM 2157 O LYS A 195 14.685 1.522 1.963 1.00 0.43 O ATOM 2158 CB LYS A 195 14.862 -1.111 3.367 1.00 0.40 C ATOM 2159 CG LYS A 195 16.162 -0.873 4.134 1.00 0.43 C ATOM 2160 CD LYS A 195 17.160 -0.030 3.343 1.00 0.46 C ATOM 2161 CE LYS A 195 17.753 -0.790 2.166 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.551 -1.964 2.603 1.00 1.11 N ATOM 0 H LYS A 195 12.779 -0.673 1.880 1.00 0.37 H new ATOM 0 HA LYS A 195 13.569 0.014 4.631 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.439 -2.066 3.677 1.00 0.40 H new ATOM 0 HB3 LYS A 195 15.089 -1.193 2.304 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.938 -0.375 5.077 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.616 -1.833 4.380 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.664 0.870 2.979 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.963 0.294 4.005 1.00 0.46 H new ATOM 0 HE2 LYS A 195 16.950 -1.123 1.508 1.00 0.53 H new ATOM 0 HE3 LYS A 195 18.385 -0.119 1.583 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 19.149 -2.289 1.817 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 19.152 -1.695 3.408 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 17.911 -2.731 2.891 1.00 1.11 H new ATOM 2176 N VAL A 196 14.395 2.262 4.059 1.00 0.41 N ATOM 2177 CA VAL A 196 14.868 3.588 3.753 1.00 0.45 C ATOM 2178 C VAL A 196 16.367 3.657 3.956 1.00 0.43 C ATOM 2179 O VAL A 196 16.942 2.926 4.767 1.00 0.41 O ATOM 2180 CB VAL A 196 14.171 4.659 4.595 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.202 5.980 3.865 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.736 4.253 4.917 1.00 0.68 C ATOM 0 H VAL A 196 14.114 2.122 5.029 1.00 0.41 H new ATOM 0 HA VAL A 196 14.628 3.792 2.709 1.00 0.45 H new ATOM 0 HB VAL A 196 14.704 4.763 5.540 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.705 6.740 4.467 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.237 6.275 3.690 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.687 5.880 2.910 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.263 5.031 5.516 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.179 4.120 3.990 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.739 3.317 5.476 1.00 0.68 H new ATOM 2192 N ILE A 197 16.982 4.528 3.195 1.00 0.47 N ATOM 2193 CA ILE A 197 18.421 4.497 2.989 1.00 0.45 C ATOM 2194 C ILE A 197 19.135 5.461 3.910 1.00 0.45 C ATOM 2195 O ILE A 197 20.066 5.088 4.625 1.00 0.49 O ATOM 2196 CB ILE A 197 18.780 4.874 1.541 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.630 4.544 0.593 1.00 0.60 C ATOM 2198 CG2 ILE A 197 20.043 4.156 1.109 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.229 3.093 0.586 1.00 0.62 C ATOM 0 H ILE A 197 16.506 5.281 2.698 1.00 0.47 H new ATOM 0 HA ILE A 197 18.742 3.478 3.204 1.00 0.45 H new ATOM 0 HB ILE A 197 18.956 5.949 1.501 1.00 0.47 H new ATOM 0 HG12 ILE A 197 16.764 5.147 0.867 1.00 0.60 H new ATOM 0 HG13 ILE A 197 17.913 4.835 -0.418 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.285 4.432 0.083 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.866 4.440 1.765 1.00 0.47 H new ATOM 0 HG23 ILE A 197 19.887 3.079 1.168 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.406 2.946 -0.114 1.00 0.62 H new ATOM 0 HD12 ILE A 197 18.079 2.482 0.281 1.00 0.62 H new ATOM 0 HD13 ILE A 197 16.911 2.798 1.586 1.00 0.62 H new ATOM 2211 N LYS A 198 18.705 6.704 3.872 1.00 0.47 N ATOM 2212 CA LYS A 198 19.369 7.759 4.615 1.00 0.49 C ATOM 2213 C LYS A 198 18.366 8.658 5.324 1.00 0.48 C ATOM 2214 O LYS A 198 17.156 8.517 5.143 1.00 0.49 O ATOM 2215 CB LYS A 198 20.282 8.574 3.681 1.00 0.59 C ATOM 2216 CG LYS A 198 19.574 9.172 2.477 1.00 0.75 C ATOM 2217 CD LYS A 198 19.011 10.547 2.789 1.00 0.94 C ATOM 2218 CE LYS A 198 17.692 10.784 2.080 1.00 0.98 C ATOM 2219 NZ LYS A 198 17.184 12.166 2.305 1.00 1.38 N ATOM 0 H LYS A 198 17.896 7.012 3.333 1.00 0.47 H new ATOM 0 HA LYS A 198 19.986 7.296 5.385 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.742 9.379 4.254 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.089 7.931 3.330 1.00 0.59 H new ATOM 0 HG2 LYS A 198 20.271 9.244 1.642 1.00 0.75 H new ATOM 0 HG3 LYS A 198 18.767 8.510 2.162 1.00 0.75 H new ATOM 0 HD2 LYS A 198 18.869 10.647 3.865 1.00 0.94 H new ATOM 0 HD3 LYS A 198 19.728 11.311 2.489 1.00 0.94 H new ATOM 0 HE2 LYS A 198 17.818 10.613 1.011 1.00 0.98 H new ATOM 0 HE3 LYS A 198 16.955 10.063 2.434 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 16.221 12.249 1.921 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 17.168 12.368 3.325 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 17.807 12.847 1.826 1.00 1.38 H new ATOM 2233 N ASP A 199 18.893 9.579 6.124 1.00 0.52 N ATOM 2234 CA ASP A 199 18.095 10.513 6.913 1.00 0.56 C ATOM 2235 C ASP A 199 17.037 11.229 6.069 1.00 0.55 C ATOM 2236 O ASP A 199 17.357 11.938 5.113 1.00 0.67 O ATOM 2237 CB ASP A 199 19.012 11.551 7.569 1.00 0.67 C ATOM 2238 CG ASP A 199 20.044 10.931 8.493 1.00 1.56 C ATOM 2239 OD1 ASP A 199 20.979 10.264 7.995 1.00 2.23 O ATOM 2240 OD2 ASP A 199 19.939 11.121 9.724 1.00 2.13 O ATOM 0 H ASP A 199 19.899 9.700 6.245 1.00 0.52 H new ATOM 0 HA ASP A 199 17.574 9.933 7.675 1.00 0.56 H new ATOM 0 HB2 ASP A 199 19.523 12.119 6.792 1.00 0.67 H new ATOM 0 HB3 ASP A 199 18.405 12.258 8.134 1.00 0.67 H new ATOM 2245 N ILE A 200 15.776 11.040 6.435 1.00 0.52 N ATOM 2246 CA ILE A 200 14.672 11.704 5.754 1.00 0.55 C ATOM 2247 C ILE A 200 14.414 13.071 6.361 1.00 0.54 C ATOM 2248 O ILE A 200 14.408 13.227 7.585 1.00 0.57 O ATOM 2249 CB ILE A 200 13.367 10.869 5.816 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.457 9.657 4.892 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.146 11.711 5.458 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.707 10.023 3.441 1.00 0.88 C ATOM 0 H ILE A 200 15.492 10.431 7.202 1.00 0.52 H new ATOM 0 HA ILE A 200 14.964 11.812 4.710 1.00 0.55 H new ATOM 0 HB ILE A 200 13.250 10.523 6.843 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.259 9.005 5.238 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.530 9.087 4.961 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.250 11.093 5.512 1.00 0.80 H new ATOM 0 HG22 ILE A 200 12.058 12.541 6.160 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.257 12.102 4.446 1.00 0.80 H new ATOM 0 HD11 ILE A 200 13.760 9.115 2.841 1.00 0.88 H new ATOM 0 HD12 ILE A 200 12.893 10.651 3.079 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.648 10.567 3.360 1.00 0.88 H new ATOM 2264 N GLU A 201 14.215 14.052 5.498 1.00 0.55 N ATOM 2265 CA GLU A 201 13.841 15.389 5.927 1.00 0.57 C ATOM 2266 C GLU A 201 12.343 15.592 5.713 1.00 0.49 C ATOM 2267 O GLU A 201 11.806 15.216 4.672 1.00 0.55 O ATOM 2268 CB GLU A 201 14.640 16.436 5.149 1.00 0.68 C ATOM 2269 CG GLU A 201 16.124 16.440 5.477 1.00 0.81 C ATOM 2270 CD GLU A 201 16.403 16.887 6.897 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.505 18.106 7.138 1.00 1.51 O ATOM 2272 OE2 GLU A 201 16.524 16.019 7.783 1.00 2.06 O ATOM 0 H GLU A 201 14.307 13.946 4.488 1.00 0.55 H new ATOM 0 HA GLU A 201 14.067 15.504 6.987 1.00 0.57 H new ATOM 0 HB2 GLU A 201 14.513 16.257 4.081 1.00 0.68 H new ATOM 0 HB3 GLU A 201 14.228 17.423 5.358 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.528 15.439 5.329 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.644 17.100 4.783 1.00 0.81 H new ATOM 2279 N PRO A 202 11.642 16.159 6.709 1.00 0.43 N ATOM 2280 CA PRO A 202 10.193 16.375 6.638 1.00 0.43 C ATOM 2281 C PRO A 202 9.759 17.090 5.359 1.00 0.45 C ATOM 2282 O PRO A 202 10.086 18.260 5.143 1.00 0.51 O ATOM 2283 CB PRO A 202 9.905 17.248 7.859 1.00 0.49 C ATOM 2284 CG PRO A 202 10.990 16.920 8.819 1.00 0.49 C ATOM 2285 CD PRO A 202 12.207 16.628 7.987 1.00 0.45 C ATOM 0 HA PRO A 202 9.648 15.431 6.627 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.912 18.307 7.600 1.00 0.49 H new ATOM 0 HB3 PRO A 202 8.924 17.029 8.280 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.173 17.752 9.499 1.00 0.49 H new ATOM 0 HG3 PRO A 202 10.721 16.060 9.432 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.824 17.516 7.852 1.00 0.45 H new ATOM 0 HD3 PRO A 202 12.838 15.869 8.450 1.00 0.45 H new ATOM 2293 N GLY A 203 9.022 16.381 4.516 1.00 0.44 N ATOM 2294 CA GLY A 203 8.550 16.963 3.279 1.00 0.52 C ATOM 2295 C GLY A 203 8.991 16.200 2.043 1.00 0.54 C ATOM 2296 O GLY A 203 8.513 16.479 0.943 1.00 0.70 O ATOM 0 H GLY A 203 8.743 15.412 4.668 1.00 0.44 H new ATOM 0 HA2 GLY A 203 7.461 17.007 3.300 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.909 17.990 3.210 1.00 0.52 H new ATOM 2300 N GLU A 204 9.903 15.243 2.199 1.00 0.48 N ATOM 2301 CA GLU A 204 10.357 14.458 1.054 1.00 0.51 C ATOM 2302 C GLU A 204 9.808 13.032 1.098 1.00 0.39 C ATOM 2303 O GLU A 204 9.915 12.334 2.108 1.00 0.40 O ATOM 2304 CB GLU A 204 11.887 14.446 0.958 1.00 0.65 C ATOM 2305 CG GLU A 204 12.591 13.833 2.157 1.00 0.71 C ATOM 2306 CD GLU A 204 14.099 13.884 2.034 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.710 12.850 1.695 1.00 1.16 O ATOM 2308 OE2 GLU A 204 14.680 14.962 2.272 1.00 1.27 O ATOM 0 H GLU A 204 10.335 14.995 3.089 1.00 0.48 H new ATOM 0 HA GLU A 204 9.965 14.940 0.158 1.00 0.51 H new ATOM 0 HB2 GLU A 204 12.177 13.897 0.063 1.00 0.65 H new ATOM 0 HB3 GLU A 204 12.238 15.470 0.831 1.00 0.65 H new ATOM 0 HG2 GLU A 204 12.286 14.359 3.061 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.274 12.796 2.269 1.00 0.71 H new ATOM 2315 N GLU A 205 9.186 12.627 0.001 1.00 0.47 N ATOM 2316 CA GLU A 205 8.649 11.278 -0.138 1.00 0.51 C ATOM 2317 C GLU A 205 9.457 10.451 -1.135 1.00 0.43 C ATOM 2318 O GLU A 205 9.189 10.484 -2.332 1.00 0.49 O ATOM 2319 CB GLU A 205 7.187 11.332 -0.607 1.00 0.80 C ATOM 2320 CG GLU A 205 6.757 12.656 -1.245 1.00 1.49 C ATOM 2321 CD GLU A 205 7.601 13.078 -2.440 1.00 2.41 C ATOM 2322 OE1 GLU A 205 8.501 13.923 -2.280 1.00 2.84 O ATOM 2323 OE2 GLU A 205 7.368 12.543 -3.553 1.00 2.92 O ATOM 0 H GLU A 205 9.039 13.220 -0.816 1.00 0.47 H new ATOM 0 HA GLU A 205 8.711 10.803 0.841 1.00 0.51 H new ATOM 0 HB2 GLU A 205 7.023 10.530 -1.327 1.00 0.80 H new ATOM 0 HB3 GLU A 205 6.540 11.131 0.247 1.00 0.80 H new ATOM 0 HG2 GLU A 205 5.717 12.573 -1.561 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.799 13.441 -0.490 1.00 1.49 H new ATOM 2330 N LEU A 206 10.436 9.692 -0.660 1.00 0.37 N ATOM 2331 CA LEU A 206 11.163 8.806 -1.563 1.00 0.36 C ATOM 2332 C LEU A 206 11.120 7.363 -1.062 1.00 0.36 C ATOM 2333 O LEU A 206 11.952 6.976 -0.250 1.00 0.39 O ATOM 2334 CB LEU A 206 12.642 9.232 -1.689 1.00 0.41 C ATOM 2335 CG LEU A 206 12.935 10.675 -2.123 1.00 0.44 C ATOM 2336 CD1 LEU A 206 12.083 11.083 -3.314 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.757 11.633 -0.962 1.00 0.84 C ATOM 0 H LEU A 206 10.739 9.669 0.314 1.00 0.37 H new ATOM 0 HA LEU A 206 10.678 8.875 -2.537 1.00 0.36 H new ATOM 0 HB2 LEU A 206 13.121 9.068 -0.724 1.00 0.41 H new ATOM 0 HB3 LEU A 206 13.124 8.563 -2.402 1.00 0.41 H new ATOM 0 HG LEU A 206 13.977 10.722 -2.441 1.00 0.44 H new ATOM 0 HD11 LEU A 206 12.317 12.110 -3.594 1.00 0.90 H new ATOM 0 HD12 LEU A 206 12.292 10.421 -4.155 1.00 0.90 H new ATOM 0 HD13 LEU A 206 11.028 11.011 -3.049 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.970 12.649 -1.293 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.731 11.577 -0.598 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.442 11.362 -0.159 1.00 0.84 H new ATOM 2349 N LEU A 207 10.176 6.571 -1.576 1.00 0.37 N ATOM 2350 CA LEU A 207 10.136 5.118 -1.346 1.00 0.40 C ATOM 2351 C LEU A 207 9.539 4.426 -2.580 1.00 0.43 C ATOM 2352 O LEU A 207 8.356 4.590 -2.860 1.00 0.53 O ATOM 2353 CB LEU A 207 9.293 4.756 -0.105 1.00 0.43 C ATOM 2354 CG LEU A 207 9.958 4.925 1.279 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.410 4.455 1.264 1.00 0.49 C ATOM 2356 CD2 LEU A 207 9.848 6.362 1.780 1.00 0.44 C ATOM 0 H LEU A 207 9.417 6.915 -2.164 1.00 0.37 H new ATOM 0 HA LEU A 207 11.157 4.778 -1.171 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.390 5.366 -0.122 1.00 0.43 H new ATOM 0 HB3 LEU A 207 8.978 3.717 -0.203 1.00 0.43 H new ATOM 0 HG LEU A 207 9.414 4.290 1.978 1.00 0.45 H new ATOM 0 HD11 LEU A 207 11.846 4.589 2.254 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.448 3.401 0.990 1.00 0.49 H new ATOM 0 HD13 LEU A 207 11.974 5.040 0.537 1.00 0.49 H new ATOM 0 HD21 LEU A 207 10.326 6.445 2.756 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.342 7.032 1.076 1.00 0.44 H new ATOM 0 HD23 LEU A 207 8.797 6.638 1.866 1.00 0.44 H new ATOM 2368 N VAL A 208 10.341 3.666 -3.314 1.00 0.43 N ATOM 2369 CA VAL A 208 9.863 2.996 -4.521 1.00 0.50 C ATOM 2370 C VAL A 208 10.743 1.791 -4.846 1.00 0.57 C ATOM 2371 O VAL A 208 11.864 1.683 -4.349 1.00 0.59 O ATOM 2372 CB VAL A 208 9.839 3.952 -5.736 1.00 0.48 C ATOM 2373 CG1 VAL A 208 11.245 4.188 -6.257 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.927 3.423 -6.837 1.00 0.88 C ATOM 0 H VAL A 208 11.323 3.497 -3.097 1.00 0.43 H new ATOM 0 HA VAL A 208 8.843 2.665 -4.323 1.00 0.50 H new ATOM 0 HB VAL A 208 9.433 4.908 -5.406 1.00 0.48 H new ATOM 0 HG11 VAL A 208 11.208 4.863 -7.112 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.855 4.632 -5.470 1.00 0.91 H new ATOM 0 HG13 VAL A 208 11.684 3.238 -6.564 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.931 4.117 -7.678 1.00 0.88 H new ATOM 0 HG22 VAL A 208 9.285 2.449 -7.169 1.00 0.88 H new ATOM 0 HG23 VAL A 208 7.912 3.325 -6.453 1.00 0.88 H new ATOM 2384 N HIS A 209 10.223 0.879 -5.652 1.00 0.69 N ATOM 2385 CA HIS A 209 11.039 -0.178 -6.225 1.00 0.82 C ATOM 2386 C HIS A 209 11.204 0.059 -7.725 1.00 0.94 C ATOM 2387 O HIS A 209 10.240 -0.034 -8.483 1.00 1.09 O ATOM 2388 CB HIS A 209 10.402 -1.547 -5.974 1.00 1.02 C ATOM 2389 CG HIS A 209 11.211 -2.703 -6.485 1.00 1.20 C ATOM 2390 ND1 HIS A 209 10.760 -3.497 -7.509 1.00 1.42 N ATOM 2391 CD2 HIS A 209 12.414 -3.162 -6.066 1.00 1.41 C ATOM 2392 CE1 HIS A 209 11.689 -4.418 -7.689 1.00 1.54 C ATOM 2393 NE2 HIS A 209 12.711 -4.255 -6.838 1.00 1.55 N ATOM 0 H HIS A 209 9.240 0.850 -5.924 1.00 0.69 H new ATOM 0 HA HIS A 209 12.019 -0.165 -5.748 1.00 0.82 H new ATOM 0 HB2 HIS A 209 10.246 -1.672 -4.902 1.00 1.02 H new ATOM 0 HB3 HIS A 209 9.419 -1.570 -6.444 1.00 1.02 H new ATOM 0 HD2 HIS A 209 13.022 -2.747 -5.276 1.00 1.41 H new ATOM 0 HE1 HIS A 209 11.632 -5.203 -8.428 1.00 1.54 H new ATOM 0 HE2 HIS A 209 13.549 -4.833 -6.776 1.00 1.55 H new ATOM 2401 N VAL A 210 12.416 0.399 -8.139 1.00 1.14 N ATOM 2402 CA VAL A 210 12.719 0.573 -9.552 1.00 1.45 C ATOM 2403 C VAL A 210 13.815 -0.394 -9.978 1.00 1.58 C ATOM 2404 O VAL A 210 14.998 -0.164 -9.721 1.00 1.82 O ATOM 2405 CB VAL A 210 13.153 2.021 -9.883 1.00 1.92 C ATOM 2406 CG1 VAL A 210 13.540 2.149 -11.350 1.00 2.56 C ATOM 2407 CG2 VAL A 210 12.047 3.007 -9.544 1.00 2.44 C ATOM 0 H VAL A 210 13.207 0.560 -7.515 1.00 1.14 H new ATOM 0 HA VAL A 210 11.803 0.364 -10.104 1.00 1.45 H new ATOM 0 HB VAL A 210 14.026 2.256 -9.274 1.00 1.92 H new ATOM 0 HG11 VAL A 210 13.841 3.176 -11.559 1.00 2.56 H new ATOM 0 HG12 VAL A 210 14.369 1.476 -11.568 1.00 2.56 H new ATOM 0 HG13 VAL A 210 12.687 1.887 -11.976 1.00 2.56 H new ATOM 0 HG21 VAL A 210 12.375 4.018 -9.785 1.00 2.44 H new ATOM 0 HG22 VAL A 210 11.155 2.767 -10.123 1.00 2.44 H new ATOM 0 HG23 VAL A 210 11.817 2.944 -8.480 1.00 2.44 H new